1-[1-[(1S,3R)-3-[2-(3-chloro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,5S)-3,3-difluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-fluoro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-hydroxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-methoxy-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one

C141H143ClF3N15O12S5 — CID 167563448

IUPAC1-[1-[(1S,3R)-3-[2-(3-chloro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,5S)-3,3-difluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-fluoro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-hydroxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-methoxy-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
SMILESCCC(=O)c1cc2nc(-c3ccccn3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1O.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2sc(C)cc2Cl)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2sc(C)cc2F)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2sc(C)cc2OC)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1C[C@@H](CC(=O)c2ccc(C)s2)CC(F)(F)C1
InChIInChI=1S/C29H31N3O3S.C28H28ClN3O2S.C28H27F2N3O2S.C28H28FN3O2S.C28H29N3O3S/c1-4-25(33)20-11-12-24-23(17-20)31-29(22-10-5-6-13-30-22)32(24)21-9-7-8-19(15-21)16-26(34)28-27(35-3)14-18(2)36-28;1-3-25(33)19-10-11-24-23(16-19)31-28(22-9-4-5-12-30-22)32(24)20-8-6-7-18(14-20)15-26(34)27-21(29)13-17(2)35-27;1-3-24(34)19-8-9-23-22(14-19)32-27(21-6-4-5-11-31-21)33(23)20-12-18(15-28(29,30)16-20)13-25(35)26-10-7-17(2)36-26;1-3-25(33)19-10-11-24-23(16-19)31-28(22-9-4-5-12-30-22)32(24)20-8-6-7-18(14-20)15-26(34)27-21(29)13-17(2)35-27;1-3-24(32)20-15-22-23(16-25(20)33)31(28(30-22)21-9-4-5-12-29-21)19-8-6-7-18(13-19)14-26(34)27-11-10-17(2)35-27/h5-6,10-14,17,19,21H,4,7-9,15-16H2,1-3H3;4-5,9-13,16,18,20H,3,6-8,14-15H2,1-2H3;4-11,14,18,20H,3,12-13,15-16H2,1-2H3;4-5,9-13,16,18,20H,3,6-8,14-15H2,1-2H3;4-5,9-12,15-16,18-19,33H,3,6-8,13-14H2,1-2H3/t19-,21+;18-,20+;18-,20-;18-,20+;18-,19+/m11011/s1
InChIKeyDYUNAWUCHBFQDX-QADANHORSA-N
MW2492.57 g/mol
LogP36.08
Rot. Bonds36

About 1-[1-[(1S,3R)-3-[2-(3-chloro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,5S)-3,3-difluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-fluoro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-hydroxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-methoxy-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one

1-[1-[(1S,3R)-3-[2-(3-chloro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,5S)-3,3-difluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-fluoro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-hydroxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-methoxy-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one (PubChem CID 167563448) has the molecular formula C141H143ClF3N15O12S5 and a molecular weight of 2492.57 g/mol. Its IUPAC name is 1-[1-[(1S,3R)-3-[2-(3-chloro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,5S)-3,3-difluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-fluoro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-hydroxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-methoxy-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[(1S,3R)-3-[2-(3-chloro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,5S)-3,3-difluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-fluoro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-hydroxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-methoxy-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
PubChem CID167563448
Molecular FormulaC141H143ClF3N15O12S5
Molecular Weight2492.57 g/mol
Exact Mass2489.93
IUPAC Name1-[1-[(1S,3R)-3-[2-(3-chloro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,5S)-3,3-difluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-fluoro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-hydroxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-methoxy-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
SMILESCCC(=O)c1cc2nc(-c3ccccn3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1O.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2sc(C)cc2Cl)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2sc(C)cc2F)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2sc(C)cc2OC)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1C[C@@H](CC(=O)c2ccc(C)s2)CC(F)(F)C1
InChIInChI=1S/C29H31N3O3S.C28H28ClN3O2S.C28H27F2N3O2S.C28H28FN3O2S.C28H29N3O3S/c1-4-25(33)20-11-12-24-23(17-20)31-29(22-10-5-6-13-30-22)32(24)21-9-7-8-19(15-21)16-26(34)28-27(35-3)14-18(2)36-28;1-3-25(33)19-10-11-24-23(16-19)31-28(22-9-4-5-12-30-22)32(24)20-8-6-7-18(14-20)15-26(34)27-21(29)13-17(2)35-27;1-3-24(34)19-8-9-23-22(14-19)32-27(21-6-4-5-11-31-21)33(23)20-12-18(15-28(29,30)16-20)13-25(35)26-10-7-17(2)36-26;1-3-25(33)19-10-11-24-23(16-19)31-28(22-9-4-5-12-30-22)32(24)20-8-6-7-18(14-20)15-26(34)27-21(29)13-17(2)35-27;1-3-24(32)20-15-22-23(16-25(20)33)31(28(30-22)21-9-4-5-12-29-21)19-8-6-7-18(13-19)14-26(34)27-11-10-17(2)35-27/h5-6,10-14,17,19,21H,4,7-9,15-16H2,1-3H3;4-5,9-13,16,18,20H,3,6-8,14-15H2,1-2H3;4-11,14,18,20H,3,12-13,15-16H2,1-2H3;4-5,9-13,16,18,20H,3,6-8,14-15H2,1-2H3;4-5,9-12,15-16,18-19,33H,3,6-8,13-14H2,1-2H3/t19-,21+;18-,20+;18-,20-;18-,20+;18-,19+/m11011/s1
InChIKeyDYUNAWUCHBFQDX-QADANHORSA-N
XLogP36.08
TPSA353.71 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds36
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002492.57
LogP ≤ 536.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Analyze 1-[1-[(1S,3R)-3-[2-(3-chloro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,5S)-3,3-difluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-fluoro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-hydroxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-methoxy-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(4-chlorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;3-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile;4-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethoxy)phenyl]benzimidazol-5-yl]propan-1-one
CID 167561457
bis(1-[6-chloro-2-(3-fluoro-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-chloro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-chloro-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,5S)-3,3-difluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-hydroxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167576610
1-[6-chloro-2-(3-fluoro-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-chloro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,5S)-3,3-difluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-fluoro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-hydroxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167644578
CID 167656613
CID 167656613
CID 157564680
CID 157564680
CID 157762434
CID 157762434
CID 158621776
CID 158621776
CID 159453045
CID 159453045
CID 159872152
CID 159872152
CID 160644114
CID 160644114
CID 161185126
CID 161185126
1-[1-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluorophenyl)-6-methoxybenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-methoxy-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[2-(2,6-difluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-fluorophenyl)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(6-fluoro-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167536445

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1S,3R)-3-[2-(3-chloro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,5S)-3,3-difluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-fluoro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-hydroxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-methoxy-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?
The IUPAC name of 1-[1-[(1S,3R)-3-[2-(3-chloro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,5S)-3,3-difluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-fluoro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-hydroxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-methoxy-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one (CID 167563448) is 1-[1-[(1S,3R)-3-[2-(3-chloro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,5S)-3,3-difluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-fluoro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-hydroxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-methoxy-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[1-[(1S,3R)-3-[2-(3-chloro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,5S)-3,3-difluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-fluoro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-hydroxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-methoxy-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?
The canonical SMILES for 1-[1-[(1S,3R)-3-[2-(3-chloro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,5S)-3,3-difluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-fluoro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-hydroxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-methoxy-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one is CCC(=O)c1cc2nc(-c3ccccn3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1O.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2sc(C)cc2Cl)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2sc(C)cc2F)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2sc(C)cc2OC)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1C[C@@H](CC(=O)c2ccc(C)s2)CC(F)(F)C1.
What is the InChIKey of 1-[1-[(1S,3R)-3-[2-(3-chloro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,5S)-3,3-difluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-fluoro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-hydroxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-methoxy-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?
The InChIKey is DYUNAWUCHBFQDX-QADANHORSA-N. The full InChI is InChI=1S/C29H31N3O3S.C28H28ClN3O2S.C28H27F2N3O2S.C28H28FN3O2S.C28H29N3O3S/c1-4-25(33)20-11-12-24-23(17-20)31-29(22-10-5-6-13-30-22)32(24)21-9-7-8-19(15-21)16-26(34)28-27(35-3)14-18(2)36-28;1-3-25(33)19-10-11-24-23(16-19)31-28(22-9-4-5-12-30-22)32(24)20-8-6-7-18(14-20)15-26(34)27-21(29)13-17(2)35-27;1-3-24(34)19-8-9-23-22(14-19)32-27(21-6-4-5-11-31-21)33(23)20-12-18(15-28(29,30)16-20)13-25(35)26-10-7-17(2)36-26;1-3-25(33)19-10-11-24-23(16-19)31-28(22-9-4-5-12-30-22)32(24)20-8-6-7-18(14-20)15-26(34)27-21(29)13-17(2)35-27;1-3-24(32)20-15-22-23(16-25(20)33)31(28(30-22)21-9-4-5-12-29-21)19-8-6-7-18(13-19)14-26(34)27-11-10-17(2)35-27/h5-6,10-14,17,19,21H,4,7-9,15-16H2,1-3H3;4-5,9-13,16,18,20H,3,6-8,14-15H2,1-2H3;4-11,14,18,20H,3,12-13,15-16H2,1-2H3;4-5,9-13,16,18,20H,3,6-8,14-15H2,1-2H3;4-5,9-12,15-16,18-19,33H,3,6-8,13-14H2,1-2H3/t19-,21+;18-,20+;18-,20-;18-,20+;18-,19+/m11011/s1.
What are the key properties of 1-[1-[(1S,3R)-3-[2-(3-chloro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,5S)-3,3-difluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-fluoro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-hydroxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-methoxy-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?
1-[1-[(1S,3R)-3-[2-(3-chloro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,5S)-3,3-difluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-fluoro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-hydroxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-methoxy-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one has a molecular weight of 2492.57 g/mol, XLogP of 36.08, 36 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1S,3R)-3-[2-(3-chloro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,5S)-3,3-difluoro-5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-fluoro-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[6-hydroxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(3-methoxy-5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one is sourced from PubChem (CID 167563448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).