Organoheterocyclic compounds
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1,3-Bis(2,6-diisopropylphenyl)imidazolium Chloride 98.0+%, TCI America™
CAS: 250285-32-6 Molecular Formula: C27H37ClN2 Molecular Weight (g/mol): 425.06 MDL Number: MFCD02684545 InChI Key: AVJBQMXODCVJCJ-UHFFFAOYSA-M Synonym: 1,3-bis 2,6-diisopropylphenyl imidazolium chloride,1,3-bis 2,6-diisopropylphenyl-1h-imidazol-3-ium chloride,1,3-bis 2,6-di-i-propylphenyl imidazolium chloride,ipr hcl,2,5-bis 2,6-diisopropylphenyl imidazolium chloride,ipr.hcl,1,3-bis 2,6-bis 1-methylethyl phenyl-1h-imidazolium chloride,1,3-bis 2,6-di-i-propylphenyl imidazoliumchloride,1,3-bis-2,6-diisopropyl-phenyl-3h-imidazol-1-ium chloride,1,3-bis 2,6-bis prop-2-yl phenyl-1h-imidazol-3-ium chloride PubChem CID: 2734913 IUPAC Name: 1,3-bis[2,6-bis(propan-2-yl)phenyl]-3H-1λ⁵-imidazol-1-ylium chloride SMILES: [Cl-].CC(C)C1=CC=CC(C(C)C)=C1N1C=C[N+](=C1)C1=C(C=CC=C1C(C)C)C(C)C
| PubChem CID | 2734913 |
|---|---|
| CAS | 250285-32-6 |
| Molecular Weight (g/mol) | 425.06 |
| MDL Number | MFCD02684545 |
| SMILES | [Cl-].CC(C)C1=CC=CC(C(C)C)=C1N1C=C[N+](=C1)C1=C(C=CC=C1C(C)C)C(C)C |
| Synonym | 1,3-bis 2,6-diisopropylphenyl imidazolium chloride,1,3-bis 2,6-diisopropylphenyl-1h-imidazol-3-ium chloride,1,3-bis 2,6-di-i-propylphenyl imidazolium chloride,ipr hcl,2,5-bis 2,6-diisopropylphenyl imidazolium chloride,ipr.hcl,1,3-bis 2,6-bis 1-methylethyl phenyl-1h-imidazolium chloride,1,3-bis 2,6-di-i-propylphenyl imidazoliumchloride,1,3-bis-2,6-diisopropyl-phenyl-3h-imidazol-1-ium chloride,1,3-bis 2,6-bis prop-2-yl phenyl-1h-imidazol-3-ium chloride |
| IUPAC Name | 1,3-bis[2,6-bis(propan-2-yl)phenyl]-3H-1λ⁵-imidazol-1-ylium chloride |
| InChI Key | AVJBQMXODCVJCJ-UHFFFAOYSA-M |
| Molecular Formula | C27H37ClN2 |
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 98.0+%, TCI America™
CAS: 641571-11-1 Molecular Formula: C11H10F3N3 Molecular Weight (g/mol): 241.217 MDL Number: MFCD11846236 InChI Key: WWTGXYAJVXKEKL-UHFFFAOYSA-N Synonym: 1-[3-Amino-5-(trifluoromethyl)phenyl]-4-methylimidazole PubChem CID: 12002825 IUPAC Name: 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline SMILES: CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)N
| PubChem CID | 12002825 |
|---|---|
| CAS | 641571-11-1 |
| Molecular Weight (g/mol) | 241.217 |
| MDL Number | MFCD11846236 |
| SMILES | CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)N |
| Synonym | 1-[3-Amino-5-(trifluoromethyl)phenyl]-4-methylimidazole |
| IUPAC Name | 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline |
| InChI Key | WWTGXYAJVXKEKL-UHFFFAOYSA-N |
| Molecular Formula | C11H10F3N3 |
1-Phenylimidazole 98.0+%, TCI America™
CAS: 7164-98-9 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 MDL Number: MFCD00041204 InChI Key: SEULWJSKCVACTH-UHFFFAOYSA-N Synonym: 1-phenyl-1h-imidazole,phenylimidazole,n-phenylimidazole,1h-imidazole, 1-phenyl,1h-imidazole, phenyl,n-phenyl imidazole,pubchem12611,acmc-20aos8,1-phenylimidazole,1-phenyl-1h-imidazole # PubChem CID: 81595 IUPAC Name: 1-phenyl-1H-imidazole SMILES: C1=CN(C=N1)C1=CC=CC=C1
| PubChem CID | 81595 |
|---|---|
| CAS | 7164-98-9 |
| Molecular Weight (g/mol) | 144.18 |
| MDL Number | MFCD00041204 |
| SMILES | C1=CN(C=N1)C1=CC=CC=C1 |
| Synonym | 1-phenyl-1h-imidazole,phenylimidazole,n-phenylimidazole,1h-imidazole, 1-phenyl,1h-imidazole, phenyl,n-phenyl imidazole,pubchem12611,acmc-20aos8,1-phenylimidazole,1-phenyl-1h-imidazole # |
| IUPAC Name | 1-phenyl-1H-imidazole |
| InChI Key | SEULWJSKCVACTH-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2 |
1-(4-Bromophenyl)-2-phenylbenzimidazole 98.0+%, TCI America™
CAS: 760212-58-6 Molecular Formula: C19H13BrN2 Molecular Weight (g/mol): 349.23 MDL Number: MFCD09746342 InChI Key: PPYIZNYOMNYZCG-UHFFFAOYSA-N PubChem CID: 23094071 IUPAC Name: 1-(4-bromophenyl)-2-phenyl-1H-1,3-benzodiazole SMILES: BrC1=CC=C(C=C1)N1C2=CC=CC=C2N=C1C1=CC=CC=C1
| PubChem CID | 23094071 |
|---|---|
| CAS | 760212-58-6 |
| Molecular Weight (g/mol) | 349.23 |
| MDL Number | MFCD09746342 |
| SMILES | BrC1=CC=C(C=C1)N1C2=CC=CC=C2N=C1C1=CC=CC=C1 |
| IUPAC Name | 1-(4-bromophenyl)-2-phenyl-1H-1,3-benzodiazole |
| InChI Key | PPYIZNYOMNYZCG-UHFFFAOYSA-N |
| Molecular Formula | C19H13BrN2 |
4-Amino-1H-imidazole-5-carbonitrile 98.0+%, TCI America™
CAS: 5098-11-3 Molecular Formula: C4H4N4 Molecular Weight (g/mol): 108.10 MDL Number: MFCD00129663 InChI Key: XEPBRDBFOSKYCF-UHFFFAOYSA-N Synonym: 4(5)-Amino-5(4)-cyanoimidazole PubChem CID: 78777 IUPAC Name: 4-amino-1H-imidazole-5-carbonitrile SMILES: C1=NC(=C(N1)C#N)N
| PubChem CID | 78777 |
|---|---|
| CAS | 5098-11-3 |
| Molecular Weight (g/mol) | 108.10 |
| MDL Number | MFCD00129663 |
| SMILES | C1=NC(=C(N1)C#N)N |
| Synonym | 4(5)-Amino-5(4)-cyanoimidazole |
| IUPAC Name | 4-amino-1H-imidazole-5-carbonitrile |
| InChI Key | XEPBRDBFOSKYCF-UHFFFAOYSA-N |
| Molecular Formula | C4H4N4 |
1-Butyl-3-methylimidazolium Bromide 98.0+%, TCI America™
CAS: 85100-77-2 Molecular Formula: C8H15BrN2 Molecular Weight (g/mol): 219.126 MDL Number: MFCD03427611 InChI Key: KYCQOKLOSUBEJK-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide PubChem CID: 2734236 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;bromide SMILES: CCCCN1C=C[N+](=C1)C.[Br-]
| PubChem CID | 2734236 |
|---|---|
| CAS | 85100-77-2 |
| Molecular Weight (g/mol) | 219.126 |
| MDL Number | MFCD03427611 |
| SMILES | CCCCN1C=C[N+](=C1)C.[Br-] |
| Synonym | 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide |
| IUPAC Name | 1-butyl-3-methylimidazol-3-ium;bromide |
| InChI Key | KYCQOKLOSUBEJK-UHFFFAOYSA-M |
| Molecular Formula | C8H15BrN2 |
1-Hexyl-3-methylimidazolium Tetrafluoroborate 97.0+%, TCI America™
CAS: 244193-50-8 Molecular Formula: C10H19BF4N2 Molecular Weight (g/mol): 254.08 MDL Number: MFCD03095459 InChI Key: MFXLOVLEQJRXFP-UHFFFAOYSA-N Synonym: 1-hexyl-3-methylimidazolium tetrafluoroborate,1-n-hexyl-3-methylimidazolium tetrafluoroborate,hmimbf4,c6mim bf4,acmc-1ckkl,hmim bf4,hmim+bf4,dsstox_cid_29108,dsstox_rid_83327,dsstox_gsid_49252 PubChem CID: 2734179 IUPAC Name: 1-hexyl-3-methyl-1H-imidazol-3-ium; tetrafluoroboranuide SMILES: F[B-](F)(F)F.CCCCCCN1C=C[N+](C)=C1
| PubChem CID | 2734179 |
|---|---|
| CAS | 244193-50-8 |
| Molecular Weight (g/mol) | 254.08 |
| MDL Number | MFCD03095459 |
| SMILES | F[B-](F)(F)F.CCCCCCN1C=C[N+](C)=C1 |
| Synonym | 1-hexyl-3-methylimidazolium tetrafluoroborate,1-n-hexyl-3-methylimidazolium tetrafluoroborate,hmimbf4,c6mim bf4,acmc-1ckkl,hmim bf4,hmim+bf4,dsstox_cid_29108,dsstox_rid_83327,dsstox_gsid_49252 |
| IUPAC Name | 1-hexyl-3-methyl-1H-imidazol-3-ium; tetrafluoroboranuide |
| InChI Key | MFXLOVLEQJRXFP-UHFFFAOYSA-N |
| Molecular Formula | C10H19BF4N2 |
2-(4-Bromophenyl)-1-phenylbenzimidazole 98.0+%, TCI America™
CAS: 2620-76-0 Molecular Formula: C19H13BrN2 Molecular Weight (g/mol): 349.231 MDL Number: MFCD09261342 InChI Key: DXRLALXPCIOIDK-UHFFFAOYSA-N Synonym: 2-4-bromophenyl-1-phenyl-1h-benzoimidazole,2-4-bromo-phenyl-1-phenyl-1h-benzoimidazole,2-4-bromophenyl-1-phenyl-1h-benzimidazole,2-4-bromophenyl-1-phenylbenzimidazole,2-4-bromophenyl-1-phenyl-1h-benzo d imidazole,1h-benzimidazole, 2-4-bromophenyl-1-phenyl,1-phenyl-2-4-bromophenyl benzimidazole,2-4-bromophenyl-1-phenyl-1h-1,3-benzodiazole,2-4-bromophenyl-1-phenyl-1,3-benzodiazole,zlchem 100 PubChem CID: 23094070 IUPAC Name: 2-(4-bromophenyl)-1-phenylbenzimidazole SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=C(C=C4)Br
| PubChem CID | 23094070 |
|---|---|
| CAS | 2620-76-0 |
| Molecular Weight (g/mol) | 349.231 |
| MDL Number | MFCD09261342 |
| SMILES | C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=C(C=C4)Br |
| Synonym | 2-4-bromophenyl-1-phenyl-1h-benzoimidazole,2-4-bromo-phenyl-1-phenyl-1h-benzoimidazole,2-4-bromophenyl-1-phenyl-1h-benzimidazole,2-4-bromophenyl-1-phenylbenzimidazole,2-4-bromophenyl-1-phenyl-1h-benzo d imidazole,1h-benzimidazole, 2-4-bromophenyl-1-phenyl,1-phenyl-2-4-bromophenyl benzimidazole,2-4-bromophenyl-1-phenyl-1h-1,3-benzodiazole,2-4-bromophenyl-1-phenyl-1,3-benzodiazole,zlchem 100 |
| IUPAC Name | 2-(4-bromophenyl)-1-phenylbenzimidazole |
| InChI Key | DXRLALXPCIOIDK-UHFFFAOYSA-N |
| Molecular Formula | C19H13BrN2 |
6-Chloroimidazo[1,2-b]pyridazine 98.0+%, TCI America™
CAS: 6775-78-6 Molecular Formula: C6H4ClN3 Molecular Weight (g/mol): 153.569 MDL Number: MFCD07778345 InChI Key: MPZDNIJHHXRTIQ-UHFFFAOYSA-N PubChem CID: 138828 IUPAC Name: 6-chloroimidazo[1,2-b]pyridazine SMILES: C1=CC(=NN2C1=NC=C2)Cl
| PubChem CID | 138828 |
|---|---|
| CAS | 6775-78-6 |
| Molecular Weight (g/mol) | 153.569 |
| MDL Number | MFCD07778345 |
| SMILES | C1=CC(=NN2C1=NC=C2)Cl |
| IUPAC Name | 6-chloroimidazo[1,2-b]pyridazine |
| InChI Key | MPZDNIJHHXRTIQ-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClN3 |
4-(2-Aminoethyl)-1-benzylpiperidine 98.0+%, TCI America™
CAS: 86945-25-7 Molecular Formula: C14H22N2 Molecular Weight (g/mol): 218.344 MDL Number: MFCD02093423 InChI Key: OUYRPOHWEJUTCQ-UHFFFAOYSA-N Synonym: 2-(1-Benzyl-4-piperidyl)ethylamine PubChem CID: 1867002 IUPAC Name: 2-(1-benzylpiperidin-4-yl)ethanamine SMILES: C1CN(CCC1CCN)CC2=CC=CC=C2
| PubChem CID | 1867002 |
|---|---|
| CAS | 86945-25-7 |
| Molecular Weight (g/mol) | 218.344 |
| MDL Number | MFCD02093423 |
| SMILES | C1CN(CCC1CCN)CC2=CC=CC=C2 |
| Synonym | 2-(1-Benzyl-4-piperidyl)ethylamine |
| IUPAC Name | 2-(1-benzylpiperidin-4-yl)ethanamine |
| InChI Key | OUYRPOHWEJUTCQ-UHFFFAOYSA-N |
| Molecular Formula | C14H22N2 |
Ethyl 4-Chloro-1-piperidinecarboxylate 98.0+%, TCI America™
CAS: 152820-13-8 Molecular Formula: C8H14ClNO2 Molecular Weight (g/mol): 191.655 InChI Key: VRTIIQLEEGGJNE-UHFFFAOYSA-N Synonym: 4-Chloro-1-piperidinecarboxylic Acid Ethyl Ester, 1-Carbethoxy-4-chloropiperidine, 4-Chloro-1-(ethoxycarbonyl)piperidine PubChem CID: 44629839 IUPAC Name: ethyl 4-chloropiperidine-1-carboxylate SMILES: CCOC(=O)N1CCC(CC1)Cl
| PubChem CID | 44629839 |
|---|---|
| CAS | 152820-13-8 |
| Molecular Weight (g/mol) | 191.655 |
| SMILES | CCOC(=O)N1CCC(CC1)Cl |
| Synonym | 4-Chloro-1-piperidinecarboxylic Acid Ethyl Ester, 1-Carbethoxy-4-chloropiperidine, 4-Chloro-1-(ethoxycarbonyl)piperidine |
| IUPAC Name | ethyl 4-chloropiperidine-1-carboxylate |
| InChI Key | VRTIIQLEEGGJNE-UHFFFAOYSA-N |
| Molecular Formula | C8H14ClNO2 |
4-(4-Chlorophenyl)-4-hydroxypiperidine 97.0+%, TCI America™
CAS: 39512-49-7 Molecular Formula: C11H15Cl2NO Molecular Weight (g/mol): 248.15 MDL Number: MFCD00006001 InChI Key: PXAJMBHRLGKPQV-UHFFFAOYSA-N Synonym: 4-4-chlorophenyl piperidin-4-ol,4-4-chlorophenyl-4-hydroxypiperidine,4-4-chlorophenyl-4-piperidinol,4-chlorophenyl-4-hydroxylpiperidine,4-p-chlorophenyl-4-hydroxypiperidine,4-p-chlorophenyl piperidin-4-ol,4-piperidinol, 4-4-chlorophenyl,haloperidol metabolite i,unii-und92fks0w,4-hydroxy-4-4-chlorophenyl piperidine PubChem CID: 38282 IUPAC Name: hydrogen 4-(4-chlorophenyl)piperidin-4-ol chloride SMILES: [H+].[Cl-].OC1(CCNCC1)C1=CC=C(Cl)C=C1
| PubChem CID | 38282 |
|---|---|
| CAS | 39512-49-7 |
| Molecular Weight (g/mol) | 248.15 |
| MDL Number | MFCD00006001 |
| SMILES | [H+].[Cl-].OC1(CCNCC1)C1=CC=C(Cl)C=C1 |
| Synonym | 4-4-chlorophenyl piperidin-4-ol,4-4-chlorophenyl-4-hydroxypiperidine,4-4-chlorophenyl-4-piperidinol,4-chlorophenyl-4-hydroxylpiperidine,4-p-chlorophenyl-4-hydroxypiperidine,4-p-chlorophenyl piperidin-4-ol,4-piperidinol, 4-4-chlorophenyl,haloperidol metabolite i,unii-und92fks0w,4-hydroxy-4-4-chlorophenyl piperidine |
| IUPAC Name | hydrogen 4-(4-chlorophenyl)piperidin-4-ol chloride |
| InChI Key | PXAJMBHRLGKPQV-UHFFFAOYSA-N |
| Molecular Formula | C11H15Cl2NO |
4-(Aminomethyl)-1-tert-butoxycarbonylpiperidine 98.0+%, TCI America™
CAS: 144222-22-0 Molecular Formula: C11H23N2O2 Molecular Weight (g/mol): 215.32 MDL Number: MFCD01076207 InChI Key: KLKBCNDBOVRQIJ-UHFFFAOYSA-O Synonym: 1-boc-4-aminomethyl piperidine,tert-butyl 4-aminomethyl piperidine-1-carboxylate,1-boc-4-aminomethylpiperidine,1-boc-4-aminomethyl-piperidine,4-aminomethyl-1-n-boc-piperidine,boc-4-aminomethyl-piperidine,4-aminomethyl-1-n-t-butoxycarbonyl piperidine,4-aminomethyl-1-boc-piperidine,1-n-boc-4-aminomethyl piperidine,4-aminomethyl-piperidine-1-carboxylic acid tert-butyl ester PubChem CID: 736817 IUPAC Name: {1-[(tert-butoxy)carbonyl]piperidin-4-yl}methanaminium SMILES: CC(C)(C)OC(=O)N1CCC(C[NH3+])CC1
| PubChem CID | 736817 |
|---|---|
| CAS | 144222-22-0 |
| Molecular Weight (g/mol) | 215.32 |
| MDL Number | MFCD01076207 |
| SMILES | CC(C)(C)OC(=O)N1CCC(C[NH3+])CC1 |
| Synonym | 1-boc-4-aminomethyl piperidine,tert-butyl 4-aminomethyl piperidine-1-carboxylate,1-boc-4-aminomethylpiperidine,1-boc-4-aminomethyl-piperidine,4-aminomethyl-1-n-boc-piperidine,boc-4-aminomethyl-piperidine,4-aminomethyl-1-n-t-butoxycarbonyl piperidine,4-aminomethyl-1-boc-piperidine,1-n-boc-4-aminomethyl piperidine,4-aminomethyl-piperidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | {1-[(tert-butoxy)carbonyl]piperidin-4-yl}methanaminium |
| InChI Key | KLKBCNDBOVRQIJ-UHFFFAOYSA-O |
| Molecular Formula | C11H23N2O2 |
4-Amino-1-benzylpiperidine 98.0+%, TCI America™
CAS: 50541-93-0 Molecular Formula: C12H18N2 Molecular Weight (g/mol): 190.29 MDL Number: MFCD00006504 InChI Key: YUBDLZGUSSWQSS-UHFFFAOYSA-N Synonym: 4-amino-1-benzylpiperidine,1-benzyl-4-aminopiperidine,1-benzyl-piperidin-4-ylamine,n-benzyl-4-amino piperidine,1-benzyl-4-piperidylamine,4-piperidinamine, 1-phenylmethyl,4-amino-1-n-benzylpiperidine,4-amino-n-benzylpiperidine,1-phenylmethyl-4-piperidinamine,n-benzyl-4-aminopiperidine PubChem CID: 415852 IUPAC Name: 1-benzylpiperidin-4-amine SMILES: C1CN(CCC1N)CC2=CC=CC=C2
| PubChem CID | 415852 |
|---|---|
| CAS | 50541-93-0 |
| Molecular Weight (g/mol) | 190.29 |
| MDL Number | MFCD00006504 |
| SMILES | C1CN(CCC1N)CC2=CC=CC=C2 |
| Synonym | 4-amino-1-benzylpiperidine,1-benzyl-4-aminopiperidine,1-benzyl-piperidin-4-ylamine,n-benzyl-4-amino piperidine,1-benzyl-4-piperidylamine,4-piperidinamine, 1-phenylmethyl,4-amino-1-n-benzylpiperidine,4-amino-n-benzylpiperidine,1-phenylmethyl-4-piperidinamine,n-benzyl-4-aminopiperidine |
| IUPAC Name | 1-benzylpiperidin-4-amine |
| InChI Key | YUBDLZGUSSWQSS-UHFFFAOYSA-N |
| Molecular Formula | C12H18N2 |
1-Benzyl-3-hydroxypiperidine 97.0+%, TCI America™
CAS: 14813-01-5 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.27 MDL Number: MFCD00023734 InChI Key: UTTCOAGPVHRUFO-UHFFFAOYNA-N Synonym: 1-benzyl-3-piperidinol,1-benzyl-3-hydroxypiperidine,n-benzyl-3-hydroxypiperidine,1-n-benzyl-3-hydroxy-piperidine,3-piperidinol, 1-phenylmethyl,n-benzyl-3-piperidinol,pubchem7640,pubchem7727,acmc-209xh5,acmc-209xj8 PubChem CID: 85773 IUPAC Name: 1-benzylpiperidin-3-ol SMILES: OC1CCCN(CC2=CC=CC=C2)C1
| PubChem CID | 85773 |
|---|---|
| CAS | 14813-01-5 |
| Molecular Weight (g/mol) | 191.27 |
| MDL Number | MFCD00023734 |
| SMILES | OC1CCCN(CC2=CC=CC=C2)C1 |
| Synonym | 1-benzyl-3-piperidinol,1-benzyl-3-hydroxypiperidine,n-benzyl-3-hydroxypiperidine,1-n-benzyl-3-hydroxy-piperidine,3-piperidinol, 1-phenylmethyl,n-benzyl-3-piperidinol,pubchem7640,pubchem7727,acmc-209xh5,acmc-209xj8 |
| IUPAC Name | 1-benzylpiperidin-3-ol |
| InChI Key | UTTCOAGPVHRUFO-UHFFFAOYNA-N |
| Molecular Formula | C12H17NO |