1-[6-fluoro-2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;bis(1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(1-[6-fluoro-2-(2-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one

C175H175F9N12O13S7 — CID 167533047

IUPAC1-[6-fluoro-2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;bis(1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(1-[6-fluoro-2-(2-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one
SMILESCCC(=O)c1cc2nc(-c3cccc(F)c3O)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccc3C)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccc3C)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3sccc3C)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F
InChIInChI=1S/2C30H31FN2O2S.C29H28F2N2O3S.2C29H28F2N2O2S.C28H29FN2O2S2/c2*1-4-27(34)23-16-25-26(17-24(23)31)33(30(32-25)22-11-6-5-8-18(22)2)21-10-7-9-20(14-21)15-28(35)29-13-12-19(3)36-29;1-3-25(34)20-14-23-24(15-22(20)31)33(29(32-23)19-8-5-9-21(30)28(19)36)18-7-4-6-17(12-18)13-26(35)27-11-10-16(2)37-27;2*1-3-26(34)21-15-24-25(16-23(21)31)33(29(32-24)20-9-4-5-10-22(20)30)19-8-6-7-18(13-19)14-27(35)28-12-11-17(2)36-28;1-4-24(32)20-14-22-23(15-21(20)29)31(28(30-22)27-16(2)10-11-34-27)19-7-5-6-18(12-19)13-25(33)26-9-8-17(3)35-26/h2*5-6,8,11-13,16-17,20-21H,4,7,9-10,14-15H2,1-3H3;5,8-11,14-15,17-18,36H,3-4,6-7,12-13H2,1-2H3;2*4-5,9-12,15-16,18-19H,3,6-8,13-14H2,1-2H3;8-11,14-15,18-19H,4-7,12-13H2,1-3H3/t2*20-,21+;17-,18+;3*18-,19+/m111111/s1
InChIKeyAFNXEOWZRXHBQQ-CYXWNGSNSA-N
MW3049.85 g/mol
LogP47.97
Rot. Bonds42

About 1-[6-fluoro-2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;bis(1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(1-[6-fluoro-2-(2-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one

1-[6-fluoro-2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;bis(1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(1-[6-fluoro-2-(2-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one (PubChem CID 167533047) has the molecular formula C175H175F9N12O13S7 and a molecular weight of 3049.85 g/mol. Its IUPAC name is 1-[6-fluoro-2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;bis(1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(1-[6-fluoro-2-(2-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-fluoro-2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;bis(1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(1-[6-fluoro-2-(2-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one
PubChem CID167533047
Molecular FormulaC175H175F9N12O13S7
Molecular Weight3049.85 g/mol
Exact Mass3047.13
IUPAC Name1-[6-fluoro-2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;bis(1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(1-[6-fluoro-2-(2-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one
SMILESCCC(=O)c1cc2nc(-c3cccc(F)c3O)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccc3C)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccc3C)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3sccc3C)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F
InChIInChI=1S/2C30H31FN2O2S.C29H28F2N2O3S.2C29H28F2N2O2S.C28H29FN2O2S2/c2*1-4-27(34)23-16-25-26(17-24(23)31)33(30(32-25)22-11-6-5-8-18(22)2)21-10-7-9-20(14-21)15-28(35)29-13-12-19(3)36-29;1-3-25(34)20-14-23-24(15-22(20)31)33(29(32-23)19-8-5-9-21(30)28(19)36)18-7-4-6-17(12-18)13-26(35)27-11-10-16(2)37-27;2*1-3-26(34)21-15-24-25(16-23(21)31)33(29(32-24)20-9-4-5-10-22(20)30)19-8-6-7-18(13-19)14-27(35)28-12-11-17(2)36-28;1-4-24(32)20-14-22-23(15-21(20)29)31(28(30-22)27-16(2)10-11-34-27)19-7-5-6-18(12-19)13-25(33)26-9-8-17(3)35-26/h2*5-6,8,11-13,16-17,20-21H,4,7,9-10,14-15H2,1-3H3;5,8-11,14-15,17-18,36H,3-4,6-7,12-13H2,1-2H3;2*4-5,9-12,15-16,18-19H,3,6-8,13-14H2,1-2H3;8-11,14-15,18-19H,4-7,12-13H2,1-3H3/t2*20-,21+;17-,18+;3*18-,19+/m111111/s1
InChIKeyAFNXEOWZRXHBQQ-CYXWNGSNSA-N
XLogP47.97
TPSA331.99 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds42
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003049.85
LogP ≤ 547.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Analyze 1-[6-fluoro-2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;bis(1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(1-[6-fluoro-2-(2-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one with MolForge

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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
1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one
CID 167624375
N-[2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one
CID 167708316
1-[6-fluoro-2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one
CID 167533050
1-[2-(3,6-difluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-fluorobenzimidazol-5-yl]propan-1-one
CID 167534698
1-[2-(3,6-difluoro-2-hydroxyphenyl)-6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one
CID 167534699
1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)benzimidazol-5-yl]propan-1-one
CID 167535859
1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one
CID 167540849
1-[2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one
CID 167547790
1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one
CID 167574293
1-[2-(2,3-difluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one
CID 167620096
1-[2-(3,6-difluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-fluorobenzimidazol-5-yl]propan-1-one;1-[2-(3,6-difluoro-2-hydroxyphenyl)-6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorothiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]-N-(5-methylthiophen-2-yl)piperidine-1-carboxamide;3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]-N-thiophen-2-ylpiperidine-1-carboxamide
CID 167534694

Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;bis(1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(1-[6-fluoro-2-(2-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one?
The IUPAC name of 1-[6-fluoro-2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;bis(1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(1-[6-fluoro-2-(2-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one (CID 167533047) is 1-[6-fluoro-2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;bis(1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(1-[6-fluoro-2-(2-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[6-fluoro-2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;bis(1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(1-[6-fluoro-2-(2-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one?
The canonical SMILES for 1-[6-fluoro-2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;bis(1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(1-[6-fluoro-2-(2-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one is CCC(=O)c1cc2nc(-c3cccc(F)c3O)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccc3C)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccc3C)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3sccc3C)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.
What is the InChIKey of 1-[6-fluoro-2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;bis(1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(1-[6-fluoro-2-(2-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one?
The InChIKey is AFNXEOWZRXHBQQ-CYXWNGSNSA-N. The full InChI is InChI=1S/2C30H31FN2O2S.C29H28F2N2O3S.2C29H28F2N2O2S.C28H29FN2O2S2/c2*1-4-27(34)23-16-25-26(17-24(23)31)33(30(32-25)22-11-6-5-8-18(22)2)21-10-7-9-20(14-21)15-28(35)29-13-12-19(3)36-29;1-3-25(34)20-14-23-24(15-22(20)31)33(29(32-23)19-8-5-9-21(30)28(19)36)18-7-4-6-17(12-18)13-26(35)27-11-10-16(2)37-27;2*1-3-26(34)21-15-24-25(16-23(21)31)33(29(32-24)20-9-4-5-10-22(20)30)19-8-6-7-18(13-19)14-27(35)28-12-11-17(2)36-28;1-4-24(32)20-14-22-23(15-21(20)29)31(28(30-22)27-16(2)10-11-34-27)19-7-5-6-18(12-19)13-25(33)26-9-8-17(3)35-26/h2*5-6,8,11-13,16-17,20-21H,4,7,9-10,14-15H2,1-3H3;5,8-11,14-15,17-18,36H,3-4,6-7,12-13H2,1-2H3;2*4-5,9-12,15-16,18-19H,3,6-8,13-14H2,1-2H3;8-11,14-15,18-19H,4-7,12-13H2,1-3H3/t2*20-,21+;17-,18+;3*18-,19+/m111111/s1.
What are the key properties of 1-[6-fluoro-2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;bis(1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(1-[6-fluoro-2-(2-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one?
1-[6-fluoro-2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;bis(1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(1-[6-fluoro-2-(2-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one has a molecular weight of 3049.85 g/mol, XLogP of 47.97, 42 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;bis(1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(1-[6-fluoro-2-(2-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one is sourced from PubChem (CID 167533047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).