3-[2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile;2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine

C123H105ClF5N25 — CID 160808454

IUPAC3-[2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile;2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cccc(CC(N)c2nc3ccc(-c4ccncc4)cc3[nH]2)c1.N#Cc1cccc(CC(N)c2nc3ccc(-c4ccncc4)cc3[nH]2)c1.NC(Cc1ccc(Cl)cc1)c1nc2ccc(-c3ccncc3)cc2[nH]1.NC(Cc1ccc(F)c(F)c1)c1nc2ccc(-c3ccncc3)cc2[nH]1.N[C@H](Cc1ccc(C(F)(F)F)cc1)c1nc2ccc(-c3ccncc3)cc2[nH]1.N[C@H](Cc1ccccc1)c1nc2ccc(-c3ccncc3)cc2[nH]1
InChIInChI=1S/C21H17F3N4.C21H17N5.C21H20N4.C20H17ClN4.C20H16F2N4.C20H18N4/c22-21(23,24)16-4-1-13(2-5-16)11-17(25)20-27-18-6-3-15(12-19(18)28-20)14-7-9-26-10-8-14;22-13-15-3-1-2-14(10-15)11-18(23)21-25-19-5-4-17(12-20(19)26-21)16-6-8-24-9-7-16;1-14-3-2-4-15(11-14)12-18(22)21-24-19-6-5-17(13-20(19)25-21)16-7-9-23-10-8-16;21-16-4-1-13(2-5-16)11-17(22)20-24-18-6-3-15(12-19(18)25-20)14-7-9-23-10-8-14;21-15-3-1-12(9-16(15)22)10-17(23)20-25-18-4-2-14(11-19(18)26-20)13-5-7-24-8-6-13;21-17(12-14-4-2-1-3-5-14)20-23-18-7-6-16(13-19(18)24-20)15-8-10-22-11-9-15/h1-10,12,17H,11,25H2,(H,27,28);1-10,12,18H,11,23H2,(H,25,26);2-11,13,18H,12,22H2,1H3,(H,24,25);1-10,12,17H,11,22H2,(H,24,25);1-9,11,17H,10,23H2,(H,25,26);1-11,13,17H,12,21H2,(H,23,24)/t17-;;;;;17-/m1....1/s1
InChIKeySDZSGCXSBWJHDX-RAJVVUITSA-N
MW2063.81 g/mol
LogP25.33
Rot. Bonds24

About 3-[2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile;2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine

3-[2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile;2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 160808454) has the molecular formula C123H105ClF5N25 and a molecular weight of 2063.81 g/mol. Its IUPAC name is 3-[2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile;2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name3-[2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile;2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID160808454
Molecular FormulaC123H105ClF5N25
Molecular Weight2063.81 g/mol
Exact Mass2061.86
IUPAC Name3-[2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile;2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cccc(CC(N)c2nc3ccc(-c4ccncc4)cc3[nH]2)c1.N#Cc1cccc(CC(N)c2nc3ccc(-c4ccncc4)cc3[nH]2)c1.NC(Cc1ccc(Cl)cc1)c1nc2ccc(-c3ccncc3)cc2[nH]1.NC(Cc1ccc(F)c(F)c1)c1nc2ccc(-c3ccncc3)cc2[nH]1.N[C@H](Cc1ccc(C(F)(F)F)cc1)c1nc2ccc(-c3ccncc3)cc2[nH]1.N[C@H](Cc1ccccc1)c1nc2ccc(-c3ccncc3)cc2[nH]1
InChIInChI=1S/C21H17F3N4.C21H17N5.C21H20N4.C20H17ClN4.C20H16F2N4.C20H18N4/c22-21(23,24)16-4-1-13(2-5-16)11-17(25)20-27-18-6-3-15(12-19(18)28-20)14-7-9-26-10-8-14;22-13-15-3-1-2-14(10-15)11-18(23)21-25-19-5-4-17(12-20(19)26-21)16-6-8-24-9-7-16;1-14-3-2-4-15(11-14)12-18(22)21-24-19-6-5-17(13-20(19)25-21)16-7-9-23-10-8-16;21-16-4-1-13(2-5-16)11-17(22)20-24-18-6-3-15(12-19(18)25-20)14-7-9-23-10-8-14;21-15-3-1-12(9-16(15)22)10-17(23)20-25-18-4-2-14(11-19(18)26-20)13-5-7-24-8-6-13;21-17(12-14-4-2-1-3-5-14)20-23-18-7-6-16(13-19(18)24-20)15-8-10-22-11-9-15/h1-10,12,17H,11,25H2,(H,27,28);1-10,12,18H,11,23H2,(H,25,26);2-11,13,18H,12,22H2,1H3,(H,24,25);1-10,12,17H,11,22H2,(H,24,25);1-9,11,17H,10,23H2,(H,25,26);1-11,13,17H,12,21H2,(H,23,24)/t17-;;;;;17-/m1....1/s1
InChIKeySDZSGCXSBWJHDX-RAJVVUITSA-N
XLogP25.33
TPSA429.33 Ų
H-Bond Donors12
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002063.81
LogP ≤ 525.33
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1019

Analyze 3-[2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile;2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine with MolForge

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Related Compounds

4-amino-6-[[(1S)-1-[3-chloro-6-[3-[6-[[(1R)-1-[3-chloro-6-[3-[6-[[(1S)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]-9H-purin-8-yl]phenyl]imidazo[1,2-b]pyridazin-7-yl]propyl]amino]-9H-purin-8-yl]-5-fluorophenyl]imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 138602694
bis(6-chloro-2-[(1S)-1-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propyl]-1H-benzimidazole);bis(6-chloro-2-[(1R)-1-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propyl]-1H-benzimidazole)
CID 157224700
9-[2-[3-[3,6-Bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[4-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole
CID 157347265
1-[4,6-Bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole
CID 157458102
CID 157458247
CID 157458247
bis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole
CID 157477981
6-(2-cyclobutyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[2-(difluoromethyl)benzimidazol-1-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-(2,6,8-trimethylimidazo[1,2-a]pyrazin-3-yl)pyridine-4-carbonitrile;N-[4-(trifluoromethyl)phenyl]-6-(2,6,8-trimethylimidazo[1,2-a]pyrazin-3-yl)pyrazin-2-amine
CID 157489235
3-chloro-1H-indole;3-chloro-1H-pyrrolo[2,3-b]pyridine;3-chloro-1H-pyrrolo[3,2-b]pyridine;3-chloro-1H-pyrrolo[2,3-c]pyridine;3-chloro-1H-pyrrolo[3,2-c]pyridine;3-cyclopropyl-1H-benzimidazol-2-one;3-(difluoromethyl)-1H-indole;3-ethynyl-1H-indole;3-fluoro-1H-pyrrolo[2,3-b]pyridine;3-fluoro-1H-pyrrolo[3,2-b]pyridine;3-fluoro-1H-pyrrolo[2,3-c]pyridine;3-fluoro-1H-pyrrolo[3,2-c]pyridine;1H-indole;1H-indole-3-carbonitrile;bis(3-methyl-1H-benzimidazol-2-one);1-methyl-3H-imidazo[4,5-b]pyridin-2-one;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methyl-3H-imidazo[4,5-c]pyridin-2-one;3-methyl-1H-imidazo[4,5-c]pyridin-2-one;3-methyl-1H-indole;3-(trideuteriomethyl)-1H-indole;3-(trifluoromethyl)-1H-indole
CID 157589639
2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(4-isocyanophenyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[(3-methyl-2-bicyclo[2.2.2]octanyl)amino]pyrimidin-4-yl]benzonitrile;3-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[(3-methyl-2-bicyclo[2.2.2]octanyl)amino]pyrimidin-4-yl]benzonitrile;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 157662920
1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;1,9-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indole;1-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;9-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole
CID 157781785
3-[2-[3,5-Bis[3-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;3-(2-methylphenyl)-2-[4-[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine;3-(2-phenylphenyl)-2-[4-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]imidazo[4,5-b]pyridine
CID 157999952
N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)quinazolin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-7-(2,2,2-trifluoroethyl)quinazolin-4-amine;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[7-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 158234902

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile;2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 3-[2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile;2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 160808454) is 3-[2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile;2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 3-[2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile;2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 3-[2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile;2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is Cc1cccc(CC(N)c2nc3ccc(-c4ccncc4)cc3[nH]2)c1.N#Cc1cccc(CC(N)c2nc3ccc(-c4ccncc4)cc3[nH]2)c1.NC(Cc1ccc(Cl)cc1)c1nc2ccc(-c3ccncc3)cc2[nH]1.NC(Cc1ccc(F)c(F)c1)c1nc2ccc(-c3ccncc3)cc2[nH]1.N[C@H](Cc1ccc(C(F)(F)F)cc1)c1nc2ccc(-c3ccncc3)cc2[nH]1.N[C@H](Cc1ccccc1)c1nc2ccc(-c3ccncc3)cc2[nH]1.
What is the InChIKey of 3-[2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile;2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is SDZSGCXSBWJHDX-RAJVVUITSA-N. The full InChI is InChI=1S/C21H17F3N4.C21H17N5.C21H20N4.C20H17ClN4.C20H16F2N4.C20H18N4/c22-21(23,24)16-4-1-13(2-5-16)11-17(25)20-27-18-6-3-15(12-19(18)28-20)14-7-9-26-10-8-14;22-13-15-3-1-2-14(10-15)11-18(23)21-25-19-5-4-17(12-20(19)26-21)16-6-8-24-9-7-16;1-14-3-2-4-15(11-14)12-18(22)21-24-19-6-5-17(13-20(19)25-21)16-7-9-23-10-8-16;21-16-4-1-13(2-5-16)11-17(22)20-24-18-6-3-15(12-19(18)25-20)14-7-9-23-10-8-14;21-15-3-1-12(9-16(15)22)10-17(23)20-25-18-4-2-14(11-19(18)26-20)13-5-7-24-8-6-13;21-17(12-14-4-2-1-3-5-14)20-23-18-7-6-16(13-19(18)24-20)15-8-10-22-11-9-15/h1-10,12,17H,11,25H2,(H,27,28);1-10,12,18H,11,23H2,(H,25,26);2-11,13,18H,12,22H2,1H3,(H,24,25);1-10,12,17H,11,22H2,(H,24,25);1-9,11,17H,10,23H2,(H,25,26);1-11,13,17H,12,21H2,(H,23,24)/t17-;;;;;17-/m1....1/s1.
What are the key properties of 3-[2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile;2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
3-[2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile;2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 2063.81 g/mol, XLogP of 25.33, 24 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile;2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 160808454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).