6-bromo-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]-5-(1,1-difluoroethyl)-4-(trifluoromethyl)-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]-4-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-amine

C115H81BrCl4F24N16 — CID 158861774

IUPAC6-bromo-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]-5-(1,1-difluoroethyl)-4-(trifluoromethyl)-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]-4-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESCC(F)(F)c1ccc2[nH]c(N[C@](Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)nc2c1C(F)(F)F.Cc1cc(C(F)(F)F)cc2[nH]c(N[C@](Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)nc12.Cc1cc2nc(N[C@](Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)[nH]c2cc1C.Fc1cc(C(F)(F)F)cc([C@@](Cc2ccccc2)(Nc2nc3ccc(Br)cc3[nH]2)c2ccc(Cl)cn2)c1
InChIInChI=1S/C30H20ClF9N4.C29H20ClF7N4.C29H23ClF4N4.C27H18BrClF4N4/c1-27(33,34)21-8-9-22-25(24(21)30(38,39)40)43-26(42-22)44-28(14-16-5-3-2-4-6-16,23-10-7-19(31)15-41-23)17-11-18(29(35,36)37)13-20(32)12-17;1-16-9-19(28(32,33)34)13-23-25(16)40-26(39-23)41-27(14-17-5-3-2-4-6-17,24-8-7-21(30)15-38-24)18-10-20(29(35,36)37)12-22(31)11-18;1-17-10-24-25(11-18(17)2)37-27(36-24)38-28(15-19-6-4-3-5-7-19,26-9-8-22(30)16-35-26)20-12-21(29(32,33)34)14-23(31)13-20;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/h2-13,15H,14H2,1H3,(H2,42,43,44);2-13,15H,14H2,1H3,(H2,39,40,41);3-14,16H,15H2,1-2H3,(H2,36,37,38);1-13,15H,14H2,(H2,35,36,37)/t28-;27-;28-;26-/m1111/s1
InChIKeyJATADAMMMFBHTE-MKOFGYNXSA-N
MW2364.69 g/mol
LogP34.31
Rot. Bonds25

About 6-bromo-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]-5-(1,1-difluoroethyl)-4-(trifluoromethyl)-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]-4-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-amine

6-bromo-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]-5-(1,1-difluoroethyl)-4-(trifluoromethyl)-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]-4-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-amine (PubChem CID 158861774) has the molecular formula C115H81BrCl4F24N16 and a molecular weight of 2364.69 g/mol. Its IUPAC name is 6-bromo-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]-5-(1,1-difluoroethyl)-4-(trifluoromethyl)-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]-4-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-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]-5-(1,1-difluoroethyl)-4-(trifluoromethyl)-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]-4-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-amine
PubChem CID158861774
Molecular FormulaC115H81BrCl4F24N16
Molecular Weight2364.69 g/mol
Exact Mass2360.44
IUPAC Name6-bromo-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]-5-(1,1-difluoroethyl)-4-(trifluoromethyl)-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]-4-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESCC(F)(F)c1ccc2[nH]c(N[C@](Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)nc2c1C(F)(F)F.Cc1cc(C(F)(F)F)cc2[nH]c(N[C@](Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)nc12.Cc1cc2nc(N[C@](Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)[nH]c2cc1C.Fc1cc(C(F)(F)F)cc([C@@](Cc2ccccc2)(Nc2nc3ccc(Br)cc3[nH]2)c2ccc(Cl)cn2)c1
InChIInChI=1S/C30H20ClF9N4.C29H20ClF7N4.C29H23ClF4N4.C27H18BrClF4N4/c1-27(33,34)21-8-9-22-25(24(21)30(38,39)40)43-26(42-22)44-28(14-16-5-3-2-4-6-16,23-10-7-19(31)15-41-23)17-11-18(29(35,36)37)13-20(32)12-17;1-16-9-19(28(32,33)34)13-23-25(16)40-26(39-23)41-27(14-17-5-3-2-4-6-17,24-8-7-21(30)15-38-24)18-10-20(29(35,36)37)12-22(31)11-18;1-17-10-24-25(11-18(17)2)37-27(36-24)38-28(15-19-6-4-3-5-7-19,26-9-8-22(30)16-35-26)20-12-21(29(32,33)34)14-23(31)13-20;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/h2-13,15H,14H2,1H3,(H2,42,43,44);2-13,15H,14H2,1H3,(H2,39,40,41);3-14,16H,15H2,1-2H3,(H2,36,37,38);1-13,15H,14H2,(H2,35,36,37)/t28-;27-;28-;26-/m1111/s1
InChIKeyJATADAMMMFBHTE-MKOFGYNXSA-N
XLogP34.31
TPSA214.40 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002364.69
LogP ≤ 534.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze 6-bromo-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]-5-(1,1-difluoroethyl)-4-(trifluoromethyl)-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]-4-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-bromo-N-[(1R)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine
CID 16743068
4-bromo-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine
CID 59134752
6-bromo-N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine
CID 73318598
6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 157213669
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
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-(1,1-difluoroethyl)-1H-benzimidazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-fluoro-4-methyl-1H-benzimidazol-2-amine;bis(N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine)
CID 158583131
3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 158828415
8-[5-(1H-benzimidazol-2-yl)-6-methyl-3-pyridinyl]-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-methyl-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-methyl-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-methyl-1H-benzimidazole
CID 158851577
bis(6-chloro-2-[(1S)-1-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]ethyl]-1H-benzimidazole);bis(6-chloro-2-[(1R)-1-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]ethyl]-1H-benzimidazole)
CID 159428478
bis(N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-fluoro-6-methyl-1H-benzimidazol-2-amine);N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-fluoro-4-methyl-1H-benzimidazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine
CID 159886192
3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-3H-indazole;5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-isoindole;2-propan-2-ylpyrimidin-5-amine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 159964138
5-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-nitro-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5,7-trifluoro-6-methyl-1H-benzimidazol-2-amine
CID 160112616

Frequently Asked Questions

What is the IUPAC name of 6-bromo-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]-5-(1,1-difluoroethyl)-4-(trifluoromethyl)-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]-4-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-bromo-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]-5-(1,1-difluoroethyl)-4-(trifluoromethyl)-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]-4-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-amine (CID 158861774) is 6-bromo-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]-5-(1,1-difluoroethyl)-4-(trifluoromethyl)-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]-4-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-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]-5-(1,1-difluoroethyl)-4-(trifluoromethyl)-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]-4-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-bromo-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]-5-(1,1-difluoroethyl)-4-(trifluoromethyl)-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]-4-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-amine is CC(F)(F)c1ccc2[nH]c(N[C@](Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)nc2c1C(F)(F)F.Cc1cc(C(F)(F)F)cc2[nH]c(N[C@](Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)nc12.Cc1cc2nc(N[C@](Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)[nH]c2cc1C.Fc1cc(C(F)(F)F)cc([C@@](Cc2ccccc2)(Nc2nc3ccc(Br)cc3[nH]2)c2ccc(Cl)cn2)c1.
What is the InChIKey of 6-bromo-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]-5-(1,1-difluoroethyl)-4-(trifluoromethyl)-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]-4-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The InChIKey is JATADAMMMFBHTE-MKOFGYNXSA-N. The full InChI is InChI=1S/C30H20ClF9N4.C29H20ClF7N4.C29H23ClF4N4.C27H18BrClF4N4/c1-27(33,34)21-8-9-22-25(24(21)30(38,39)40)43-26(42-22)44-28(14-16-5-3-2-4-6-16,23-10-7-19(31)15-41-23)17-11-18(29(35,36)37)13-20(32)12-17;1-16-9-19(28(32,33)34)13-23-25(16)40-26(39-23)41-27(14-17-5-3-2-4-6-17,24-8-7-21(30)15-38-24)18-10-20(29(35,36)37)12-22(31)11-18;1-17-10-24-25(11-18(17)2)37-27(36-24)38-28(15-19-6-4-3-5-7-19,26-9-8-22(30)16-35-26)20-12-21(29(32,33)34)14-23(31)13-20;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/h2-13,15H,14H2,1H3,(H2,42,43,44);2-13,15H,14H2,1H3,(H2,39,40,41);3-14,16H,15H2,1-2H3,(H2,36,37,38);1-13,15H,14H2,(H2,35,36,37)/t28-;27-;28-;26-/m1111/s1.
What are the key properties of 6-bromo-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]-5-(1,1-difluoroethyl)-4-(trifluoromethyl)-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]-4-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
6-bromo-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]-5-(1,1-difluoroethyl)-4-(trifluoromethyl)-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]-4-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-amine has a molecular weight of 2364.69 g/mol, XLogP of 34.31, 25 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-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]-5-(1,1-difluoroethyl)-4-(trifluoromethyl)-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]-4-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 158861774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).