6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine

C112H81Cl5F16N16O2 — CID 159151468

IUPAC6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine
SMILESCOc1ccc2nc(N[C@](Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)[nH]c2c1.Cc1cccc2[nH]c(N[C@](Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)nc12.Fc1cc(C(F)(F)F)cc([C@@](Cc2ccccc2)(Nc2nc3cc4c(cc3[nH]2)CCO4)c2ccc(Cl)cn2)c1.Fc1cc(C(F)(F)F)cc([C@@](Cc2ccccc2)(Nc2nc3ccc(Cl)cc3[nH]2)c2ccc(Cl)cn2)c1
InChIInChI=1S/C29H21ClF4N4O.C28H21ClF4N4O.C28H21ClF4N4.C27H18Cl2F4N4/c30-21-6-7-26(35-16-21)28(15-17-4-2-1-3-5-17,19-11-20(29(32,33)34)13-22(31)12-19)38-27-36-23-10-18-8-9-39-25(18)14-24(23)37-27;1-38-22-8-9-23-24(14-22)36-26(35-23)37-27(15-17-5-3-2-4-6-17,25-10-7-20(29)16-34-25)18-11-19(28(31,32)33)13-21(30)12-18;1-17-6-5-9-23-25(17)36-26(35-23)37-27(15-18-7-3-2-4-8-18,24-11-10-21(29)16-34-24)19-12-20(28(31,32)33)14-22(30)13-19;28-19-6-8-22-23(13-19)36-25(35-22)37-26(14-16-4-2-1-3-5-16,24-9-7-20(29)15-34-24)17-10-18(27(31,32)33)12-21(30)11-17/h1-7,10-14,16H,8-9,15H2,(H2,36,37,38);2-14,16H,15H2,1H3,(H2,35,36,37);2-14,16H,15H2,1H3,(H2,35,36,37);1-13,15H,14H2,(H2,35,36,37)/t28-;2*27-;26-/m1111/s1
InChIKeyKJIQYWDXTBFPAW-MJGKMAKFSA-N
MW2164.22 g/mol
LogP30.38
Rot. Bonds25

About 6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine

6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine (PubChem CID 159151468) has the molecular formula C112H81Cl5F16N16O2 and a molecular weight of 2164.22 g/mol. Its IUPAC name is 6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine
PubChem CID159151468
Molecular FormulaC112H81Cl5F16N16O2
Molecular Weight2164.22 g/mol
Exact Mass2160.49
IUPAC Name6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine
SMILESCOc1ccc2nc(N[C@](Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)[nH]c2c1.Cc1cccc2[nH]c(N[C@](Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)nc12.Fc1cc(C(F)(F)F)cc([C@@](Cc2ccccc2)(Nc2nc3cc4c(cc3[nH]2)CCO4)c2ccc(Cl)cn2)c1.Fc1cc(C(F)(F)F)cc([C@@](Cc2ccccc2)(Nc2nc3ccc(Cl)cc3[nH]2)c2ccc(Cl)cn2)c1
InChIInChI=1S/C29H21ClF4N4O.C28H21ClF4N4O.C28H21ClF4N4.C27H18Cl2F4N4/c30-21-6-7-26(35-16-21)28(15-17-4-2-1-3-5-17,19-11-20(29(32,33)34)13-22(31)12-19)38-27-36-23-10-18-8-9-39-25(18)14-24(23)37-27;1-38-22-8-9-23-24(14-22)36-26(35-23)37-27(15-17-5-3-2-4-6-17,25-10-7-20(29)16-34-25)18-11-19(28(31,32)33)13-21(30)12-18;1-17-6-5-9-23-25(17)36-26(35-23)37-27(15-18-7-3-2-4-8-18,24-11-10-21(29)16-34-24)19-12-20(28(31,32)33)14-22(30)13-19;28-19-6-8-22-23(13-19)36-25(35-22)37-26(14-16-4-2-1-3-5-16,24-9-7-20(29)15-34-24)17-10-18(27(31,32)33)12-21(30)11-17/h1-7,10-14,16H,8-9,15H2,(H2,36,37,38);2-14,16H,15H2,1H3,(H2,35,36,37);2-14,16H,15H2,1H3,(H2,35,36,37);1-13,15H,14H2,(H2,35,36,37)/t28-;2*27-;26-/m1111/s1
InChIKeyKJIQYWDXTBFPAW-MJGKMAKFSA-N
XLogP30.38
TPSA232.86 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002164.22
LogP ≤ 530.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine
CID 59134620
5-chloro-2-[1-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-phenylethyl]pyridine;6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine
CID 143474907
N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine;bis(N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine);N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine
CID 158345766
1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 158445648
(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide
CID 159399292
6-chloro-5-fluoro-2-(4-pyrrolidin-1-ylphenyl)-3H-indole;5-chloro-6-methyl-2-(4-piperidin-1-ylphenyl)-1H-benzimidazole;bis(5-chloro-6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole);5-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-benzimidazole;5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole;5,6-dichloro-2-(4-imidazol-1-ylphenyl)-3H-indole;5,6-dichloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-3H-indole;5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole;5-fluoro-6-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-benzimidazole
CID 159546279
N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-6-fluoro-4-methyl-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5,6-dimethyl-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-fluoro-4-methyl-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-nitro-1H-benzimidazol-2-amine
CID 159818902
6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile
CID 159896590
1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 160181160
(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide
CID 160817457
2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 162079197
1-(6-chloropyrazin-2-yl)-2-methyl-5-(trifluoromethoxy)benzimidazole;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethoxy)benzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-6-(trifluoromethoxy)-1H-benzimidazole;6-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 162081839

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine?
The IUPAC name of 6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine (CID 159151468) is 6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for 6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine is COc1ccc2nc(N[C@](Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)[nH]c2c1.Cc1cccc2[nH]c(N[C@](Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)nc12.Fc1cc(C(F)(F)F)cc([C@@](Cc2ccccc2)(Nc2nc3cc4c(cc3[nH]2)CCO4)c2ccc(Cl)cn2)c1.Fc1cc(C(F)(F)F)cc([C@@](Cc2ccccc2)(Nc2nc3ccc(Cl)cc3[nH]2)c2ccc(Cl)cn2)c1.
What is the InChIKey of 6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine?
The InChIKey is KJIQYWDXTBFPAW-MJGKMAKFSA-N. The full InChI is InChI=1S/C29H21ClF4N4O.C28H21ClF4N4O.C28H21ClF4N4.C27H18Cl2F4N4/c30-21-6-7-26(35-16-21)28(15-17-4-2-1-3-5-17,19-11-20(29(32,33)34)13-22(31)12-19)38-27-36-23-10-18-8-9-39-25(18)14-24(23)37-27;1-38-22-8-9-23-24(14-22)36-26(35-23)37-27(15-17-5-3-2-4-6-17,25-10-7-20(29)16-34-25)18-11-19(28(31,32)33)13-21(30)12-18;1-17-6-5-9-23-25(17)36-26(35-23)37-27(15-18-7-3-2-4-8-18,24-11-10-21(29)16-34-24)19-12-20(28(31,32)33)14-22(30)13-19;28-19-6-8-22-23(13-19)36-25(35-22)37-26(14-16-4-2-1-3-5-16,24-9-7-20(29)15-34-24)17-10-18(27(31,32)33)12-21(30)11-17/h1-7,10-14,16H,8-9,15H2,(H2,36,37,38);2-14,16H,15H2,1H3,(H2,35,36,37);2-14,16H,15H2,1H3,(H2,35,36,37);1-13,15H,14H2,(H2,35,36,37)/t28-;2*27-;26-/m1111/s1.
What are the key properties of 6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine?
6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine has a molecular weight of 2164.22 g/mol, XLogP of 30.38, 25 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 159151468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).