N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-(3-fluorophenyl)-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-thiophen-2-ylpiperidine-1-carboxamide

C171H165ClF10N16O12S5 — CID 167577045

IUPACN-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-(3-fluorophenyl)-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-thiophen-2-ylpiperidine-1-carboxamide
SMILESCCC(=O)c1cc2nc(-c3cccc(F)c3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3cccc(F)c3)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)c1ccc2c(c1)nc(-c1cccc(F)c1)n2C1CCCN(C(=O)Nc2ccccc2Cl)C1.CCC(=O)c1ccc2c(c1)nc(-c1cccc(F)c1)n2C1CCCN(C(=O)Nc2cccs2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1C(F)F)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1
InChIInChI=1S/C30H30F2N2O2S.3C29H28F2N2O2S.C28H26ClFN4O2.C26H25FN4O2S/c1-3-26(35)20-12-13-25-24(17-20)33-30(23-10-5-4-9-22(23)29(31)32)34(25)21-8-6-7-19(15-21)16-27(36)28-14-11-18(2)37-28;2*1-3-26(34)22-15-24-25(16-23(22)31)33(29(32-24)19-7-5-8-20(30)14-19)21-9-4-6-18(12-21)13-27(35)28-11-10-17(2)36-28;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;1-2-26(35)18-12-13-25-24(16-18)31-27(19-7-5-8-20(30)15-19)34(25)21-9-6-14-33(17-21)28(36)32-23-11-4-3-10-22(23)29;1-2-23(32)17-10-11-22-21(15-17)28-25(18-6-3-7-19(27)14-18)31(22)20-8-4-12-30(16-20)26(33)29-24-9-5-13-34-24/h4-5,9-14,17,19,21,29H,3,6-8,15-16H2,1-2H3;2*5,7-8,10-11,14-16,18,21H,3-4,6,9,12-13H2,1-2H3;4-5,9-12,15-16,18-19H,3,6-8,13-14H2,1-2H3;3-5,7-8,10-13,15-16,21H,2,6,9,14,17H2,1H3,(H,32,36);3,5-7,9-11,13-15,20H,2,4,8,12,16H2,1H3,(H,29,33)/t19-,21+;2*18-,21+;18-,19+;;/m1111../s1
InChIKeyGRICJXJQDMZHLF-GKKGWKAYSA-N
MW3022.07 g/mol
LogP45.78
Rot. Bonds39

About N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-(3-fluorophenyl)-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-thiophen-2-ylpiperidine-1-carboxamide

N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-(3-fluorophenyl)-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-thiophen-2-ylpiperidine-1-carboxamide (PubChem CID 167577045) has the molecular formula C171H165ClF10N16O12S5 and a molecular weight of 3022.07 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-(3-fluorophenyl)-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-thiophen-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-(3-fluorophenyl)-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-thiophen-2-ylpiperidine-1-carboxamide
PubChem CID167577045
Molecular FormulaC171H165ClF10N16O12S5
Molecular Weight3022.07 g/mol
Exact Mass3019.09
IUPAC NameN-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-(3-fluorophenyl)-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-thiophen-2-ylpiperidine-1-carboxamide
SMILESCCC(=O)c1cc2nc(-c3cccc(F)c3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3cccc(F)c3)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)c1ccc2c(c1)nc(-c1cccc(F)c1)n2C1CCCN(C(=O)Nc2ccccc2Cl)C1.CCC(=O)c1ccc2c(c1)nc(-c1cccc(F)c1)n2C1CCCN(C(=O)Nc2cccs2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1C(F)F)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1
InChIInChI=1S/C30H30F2N2O2S.3C29H28F2N2O2S.C28H26ClFN4O2.C26H25FN4O2S/c1-3-26(35)20-12-13-25-24(17-20)33-30(23-10-5-4-9-22(23)29(31)32)34(25)21-8-6-7-19(15-21)16-27(36)28-14-11-18(2)37-28;2*1-3-26(34)22-15-24-25(16-23(22)31)33(29(32-24)19-7-5-8-20(30)14-19)21-9-4-6-18(12-21)13-27(35)28-11-10-17(2)36-28;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;1-2-26(35)18-12-13-25-24(16-18)31-27(19-7-5-8-20(30)15-19)34(25)21-9-6-14-33(17-21)28(36)32-23-11-4-3-10-22(23)29;1-2-23(32)17-10-11-22-21(15-17)28-25(18-6-3-7-19(27)14-18)31(22)20-8-4-12-30(16-20)26(33)29-24-9-5-13-34-24/h4-5,9-14,17,19,21,29H,3,6-8,15-16H2,1-2H3;2*5,7-8,10-11,14-16,18,21H,3-4,6,9,12-13H2,1-2H3;4-5,9-12,15-16,18-19H,3,6-8,13-14H2,1-2H3;3-5,7-8,10-13,15-16,21H,2,6,9,14,17H2,1H3,(H,32,36);3,5-7,9-11,13-15,20H,2,4,8,12,16H2,1H3,(H,29,33)/t19-,21+;2*18-,21+;18-,19+;;/m1111../s1
InChIKeyGRICJXJQDMZHLF-GKKGWKAYSA-N
XLogP45.78
TPSA342.30 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds39
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003022.07
LogP ≤ 545.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Analyze N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-(3-fluorophenyl)-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-thiophen-2-ylpiperidine-1-carboxamide with MolForge

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Related Compounds

1-[2-[2-(difluoromethyl)phenyl]-1-[(3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one
CID 167628291
1-[2-(2-ethynylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;bis(1-[6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one);1-[2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(3-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-methyl-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one
CID 167645578
1-[2-[2-(difluoromethyl)phenyl]-1-[(3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one
CID 167628290
1-[2-(3-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one
CID 167607121
1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167560955
bis(2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile);2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile;1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone
CID 167547078
1-[2-(3-ethynylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;5-methyl-N-[(1R,3S)-3-[5-propanoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one
CID 167542485
1-[1-[(1R,3S)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;methyl 1-[(1R,3S)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;1-[1-[(1R,3S)-3-[2-oxo-2-(5-phenylthiophen-2-yl)ethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;N-[5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophen-2-yl]prop-2-enamide
CID 167698159
1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167693185
1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyrimidin-4-ylbenzimidazol-5-yl]propan-1-one
CID 167531924
1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propane-1,2-dione;1-[2-(1-methylimidazol-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;bis(1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propane-1,2-dione);1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyrimidin-4-ylbenzimidazol-5-yl]propan-1-one
CID 167561813
5-[5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophen-2-yl]pent-1-en-3-one
CID 167539768

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-(3-fluorophenyl)-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-thiophen-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-(3-fluorophenyl)-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-thiophen-2-ylpiperidine-1-carboxamide (CID 167577045) is N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-(3-fluorophenyl)-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-thiophen-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-(3-fluorophenyl)-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-thiophen-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-(3-fluorophenyl)-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-thiophen-2-ylpiperidine-1-carboxamide is CCC(=O)c1cc2nc(-c3cccc(F)c3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3cccc(F)c3)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)c1ccc2c(c1)nc(-c1cccc(F)c1)n2C1CCCN(C(=O)Nc2ccccc2Cl)C1.CCC(=O)c1ccc2c(c1)nc(-c1cccc(F)c1)n2C1CCCN(C(=O)Nc2cccs2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1C(F)F)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.
What is the InChIKey of N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-(3-fluorophenyl)-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-thiophen-2-ylpiperidine-1-carboxamide?
The InChIKey is GRICJXJQDMZHLF-GKKGWKAYSA-N. The full InChI is InChI=1S/C30H30F2N2O2S.3C29H28F2N2O2S.C28H26ClFN4O2.C26H25FN4O2S/c1-3-26(35)20-12-13-25-24(17-20)33-30(23-10-5-4-9-22(23)29(31)32)34(25)21-8-6-7-19(15-21)16-27(36)28-14-11-18(2)37-28;2*1-3-26(34)22-15-24-25(16-23(22)31)33(29(32-24)19-7-5-8-20(30)14-19)21-9-4-6-18(12-21)13-27(35)28-11-10-17(2)36-28;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;1-2-26(35)18-12-13-25-24(16-18)31-27(19-7-5-8-20(30)15-19)34(25)21-9-6-14-33(17-21)28(36)32-23-11-4-3-10-22(23)29;1-2-23(32)17-10-11-22-21(15-17)28-25(18-6-3-7-19(27)14-18)31(22)20-8-4-12-30(16-20)26(33)29-24-9-5-13-34-24/h4-5,9-14,17,19,21,29H,3,6-8,15-16H2,1-2H3;2*5,7-8,10-11,14-16,18,21H,3-4,6,9,12-13H2,1-2H3;4-5,9-12,15-16,18-19H,3,6-8,13-14H2,1-2H3;3-5,7-8,10-13,15-16,21H,2,6,9,14,17H2,1H3,(H,32,36);3,5-7,9-11,13-15,20H,2,4,8,12,16H2,1H3,(H,29,33)/t19-,21+;2*18-,21+;18-,19+;;/m1111../s1.
What are the key properties of N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-(3-fluorophenyl)-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-thiophen-2-ylpiperidine-1-carboxamide?
N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-(3-fluorophenyl)-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-thiophen-2-ylpiperidine-1-carboxamide has a molecular weight of 3022.07 g/mol, XLogP of 45.78, 39 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-(3-fluorophenyl)-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-thiophen-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 167577045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).