N-(3-chlorophenyl)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide;1-[2-(2,6-difluorophenyl)-6-methoxy-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-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-phenylbenzimidazol-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)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;tris(1-[6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one);N-phenyl-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide

C287H295ClF6N30O26S9 — CID 167608666

IUPACN-(3-chlorophenyl)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide;1-[2-(2,6-difluorophenyl)-6-methoxy-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-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-phenylbenzimidazol-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)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;tris(1-[6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one);N-phenyl-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide
SMILESCCC(=O)c1cc2nc(-c3c(F)cccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1OC.CCC(=O)c1cc2nc(-c3cccc(F)n3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1OC.CCC(=O)c1cc2nc(-c3ccccc3)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)c2cc1OC.CCC(=O)c1cc2nc(-c3ccccn3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1OC.CCC(=O)c1cc2nc(-c3ccccn3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1OC.CCC(=O)c1cc2nc(-c3ccccn3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1OC.CCC(=O)c1cc2nc(-c3sccc3C)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCN(C(=O)Nc2cccc(Cl)c2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C30H30F2N2O3S.C30H31FN2O3S.C29H30FN3O3S.C29H29FN2O2S.3C29H31N3O3S.C28H29FN2O2S2.C27H26ClN5O2.C27H27N5O2/c1-4-25(35)20-15-23-24(16-27(20)37-3)34(30(33-23)29-21(31)9-6-10-22(29)32)19-8-5-7-18(13-19)14-26(36)28-12-11-17(2)38-28;1-4-26(34)22-16-24-25(17-28(22)36-3)33(30(32-24)21-10-5-6-11-23(21)31)20-9-7-8-19(14-20)15-27(35)29-13-12-18(2)37-29;1-4-24(34)20-15-22-23(16-26(20)36-3)33(29(32-22)21-9-6-10-28(30)31-21)19-8-5-7-18(13-19)14-25(35)27-12-11-17(2)37-27;1-3-26(33)22-16-24-25(17-23(22)30)32(29(31-24)20-9-5-4-6-10-20)21-11-7-8-19(14-21)15-27(34)28-13-12-18(2)35-28;3*1-4-25(33)21-16-23-24(17-27(21)35-3)32(29(31-23)22-10-5-6-13-30-22)20-9-7-8-19(14-20)15-26(34)28-12-11-18(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;1-2-25(34)18-11-12-24-23(15-18)31-26(22-10-3-4-13-29-22)33(24)21-9-6-14-32(17-21)27(35)30-20-8-5-7-19(28)16-20;1-2-25(33)19-13-14-24-23(17-19)30-26(22-12-6-7-15-28-22)32(24)21-11-8-16-31(18-21)27(34)29-20-9-4-3-5-10-20/h6,9-12,15-16,18-19H,4-5,7-8,13-14H2,1-3H3;5-6,10-13,16-17,19-20H,4,7-9,14-15H2,1-3H3;6,9-12,15-16,18-19H,4-5,7-8,13-14H2,1-3H3;4-6,9-10,12-13,16-17,19,21H,3,7-8,11,14-15H2,1-2H3;3*5-6,10-13,16-17,19-20H,4,7-9,14-15H2,1-3H3;8-11,14-15,18-19H,4-7,12-13H2,1-3H3;3-5,7-8,10-13,15-16,21H,2,6,9,14,17H2,1H3,(H,30,35);3-7,9-10,12-15,17,21H,2,8,11,16,18H2,1H3,(H,29,34)/t18-,19+;19-,20+;18-,19+;19-,21+;3*19-,20+;18-,19+;;/m11111111../s1
InChIKeyKSQKYPSRZSEECO-KBZDISNASA-N
MW5018.75 g/mol
LogP71.97
Rot. Bonds72

About N-(3-chlorophenyl)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide;1-[2-(2,6-difluorophenyl)-6-methoxy-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-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-phenylbenzimidazol-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)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;tris(1-[6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one);N-phenyl-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide

N-(3-chlorophenyl)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide;1-[2-(2,6-difluorophenyl)-6-methoxy-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-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-phenylbenzimidazol-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)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;tris(1-[6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one);N-phenyl-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide (PubChem CID 167608666) has the molecular formula C287H295ClF6N30O26S9 and a molecular weight of 5018.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide;1-[2-(2,6-difluorophenyl)-6-methoxy-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-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-phenylbenzimidazol-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)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;tris(1-[6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one);N-phenyl-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide;1-[2-(2,6-difluorophenyl)-6-methoxy-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-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-phenylbenzimidazol-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)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;tris(1-[6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one);N-phenyl-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide
PubChem CID167608666
Molecular FormulaC287H295ClF6N30O26S9
Molecular Weight5018.75 g/mol
Exact Mass5013.98
IUPAC NameN-(3-chlorophenyl)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide;1-[2-(2,6-difluorophenyl)-6-methoxy-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-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-phenylbenzimidazol-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)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;tris(1-[6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one);N-phenyl-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide
SMILESCCC(=O)c1cc2nc(-c3c(F)cccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1OC.CCC(=O)c1cc2nc(-c3cccc(F)n3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1OC.CCC(=O)c1cc2nc(-c3ccccc3)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)c2cc1OC.CCC(=O)c1cc2nc(-c3ccccn3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1OC.CCC(=O)c1cc2nc(-c3ccccn3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1OC.CCC(=O)c1cc2nc(-c3ccccn3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1OC.CCC(=O)c1cc2nc(-c3sccc3C)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCN(C(=O)Nc2cccc(Cl)c2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C30H30F2N2O3S.C30H31FN2O3S.C29H30FN3O3S.C29H29FN2O2S.3C29H31N3O3S.C28H29FN2O2S2.C27H26ClN5O2.C27H27N5O2/c1-4-25(35)20-15-23-24(16-27(20)37-3)34(30(33-23)29-21(31)9-6-10-22(29)32)19-8-5-7-18(13-19)14-26(36)28-12-11-17(2)38-28;1-4-26(34)22-16-24-25(17-28(22)36-3)33(30(32-24)21-10-5-6-11-23(21)31)20-9-7-8-19(14-20)15-27(35)29-13-12-18(2)37-29;1-4-24(34)20-15-22-23(16-26(20)36-3)33(29(32-22)21-9-6-10-28(30)31-21)19-8-5-7-18(13-19)14-25(35)27-12-11-17(2)37-27;1-3-26(33)22-16-24-25(17-23(22)30)32(29(31-24)20-9-5-4-6-10-20)21-11-7-8-19(14-21)15-27(34)28-13-12-18(2)35-28;3*1-4-25(33)21-16-23-24(17-27(21)35-3)32(29(31-23)22-10-5-6-13-30-22)20-9-7-8-19(14-20)15-26(34)28-12-11-18(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;1-2-25(34)18-11-12-24-23(15-18)31-26(22-10-3-4-13-29-22)33(24)21-9-6-14-32(17-21)27(35)30-20-8-5-7-19(28)16-20;1-2-25(33)19-13-14-24-23(17-19)30-26(22-12-6-7-15-28-22)32(24)21-11-8-16-31(18-21)27(34)29-20-9-4-3-5-10-20/h6,9-12,15-16,18-19H,4-5,7-8,13-14H2,1-3H3;5-6,10-13,16-17,19-20H,4,7-9,14-15H2,1-3H3;6,9-12,15-16,18-19H,4-5,7-8,13-14H2,1-3H3;4-6,9-10,12-13,16-17,19,21H,3,7-8,11,14-15H2,1-2H3;3*5-6,10-13,16-17,19-20H,4,7-9,14-15H2,1-3H3;8-11,14-15,18-19H,4-7,12-13H2,1-3H3;3-5,7-8,10-13,15-16,21H,2,6,9,14,17H2,1H3,(H,30,35);3-7,9-10,12-15,17,21H,2,8,11,16,18H2,1H3,(H,29,34)/t18-,19+;19-,20+;18-,19+;19-,21+;3*19-,20+;18-,19+;;/m11111111../s1
InChIKeyKSQKYPSRZSEECO-KBZDISNASA-N
XLogP71.97
TPSA682.86 Ų
H-Bond Donors2
H-Bond Acceptors61
Rotatable Bonds72
Heavy Atoms359
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005018.75
LogP ≤ 571.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1061

Analyze N-(3-chlorophenyl)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide;1-[2-(2,6-difluorophenyl)-6-methoxy-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-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-phenylbenzimidazol-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)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;tris(1-[6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one);N-phenyl-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide;1-[2-(2,6-difluorophenyl)-6-methoxy-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-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-phenylbenzimidazol-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)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;tris(1-[6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one);N-phenyl-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide;1-[2-(2,6-difluorophenyl)-6-methoxy-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-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-phenylbenzimidazol-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)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;tris(1-[6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one);N-phenyl-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide (CID 167608666) is N-(3-chlorophenyl)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide;1-[2-(2,6-difluorophenyl)-6-methoxy-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-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-phenylbenzimidazol-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)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;tris(1-[6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one);N-phenyl-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide;1-[2-(2,6-difluorophenyl)-6-methoxy-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-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-phenylbenzimidazol-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)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;tris(1-[6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one);N-phenyl-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide;1-[2-(2,6-difluorophenyl)-6-methoxy-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-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-phenylbenzimidazol-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)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;tris(1-[6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one);N-phenyl-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide is CCC(=O)c1cc2nc(-c3c(F)cccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1OC.CCC(=O)c1cc2nc(-c3cccc(F)n3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1OC.CCC(=O)c1cc2nc(-c3ccccc3)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)c2cc1OC.CCC(=O)c1cc2nc(-c3ccccn3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1OC.CCC(=O)c1cc2nc(-c3ccccn3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1OC.CCC(=O)c1cc2nc(-c3ccccn3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1OC.CCC(=O)c1cc2nc(-c3sccc3C)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCN(C(=O)Nc2cccc(Cl)c2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of N-(3-chlorophenyl)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide;1-[2-(2,6-difluorophenyl)-6-methoxy-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-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-phenylbenzimidazol-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)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;tris(1-[6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one);N-phenyl-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide?
The InChIKey is KSQKYPSRZSEECO-KBZDISNASA-N. The full InChI is InChI=1S/C30H30F2N2O3S.C30H31FN2O3S.C29H30FN3O3S.C29H29FN2O2S.3C29H31N3O3S.C28H29FN2O2S2.C27H26ClN5O2.C27H27N5O2/c1-4-25(35)20-15-23-24(16-27(20)37-3)34(30(33-23)29-21(31)9-6-10-22(29)32)19-8-5-7-18(13-19)14-26(36)28-12-11-17(2)38-28;1-4-26(34)22-16-24-25(17-28(22)36-3)33(30(32-24)21-10-5-6-11-23(21)31)20-9-7-8-19(14-20)15-27(35)29-13-12-18(2)37-29;1-4-24(34)20-15-22-23(16-26(20)36-3)33(29(32-22)21-9-6-10-28(30)31-21)19-8-5-7-18(13-19)14-25(35)27-12-11-17(2)37-27;1-3-26(33)22-16-24-25(17-23(22)30)32(29(31-24)20-9-5-4-6-10-20)21-11-7-8-19(14-21)15-27(34)28-13-12-18(2)35-28;3*1-4-25(33)21-16-23-24(17-27(21)35-3)32(29(31-23)22-10-5-6-13-30-22)20-9-7-8-19(14-20)15-26(34)28-12-11-18(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;1-2-25(34)18-11-12-24-23(15-18)31-26(22-10-3-4-13-29-22)33(24)21-9-6-14-32(17-21)27(35)30-20-8-5-7-19(28)16-20;1-2-25(33)19-13-14-24-23(17-19)30-26(22-12-6-7-15-28-22)32(24)21-11-8-16-31(18-21)27(34)29-20-9-4-3-5-10-20/h6,9-12,15-16,18-19H,4-5,7-8,13-14H2,1-3H3;5-6,10-13,16-17,19-20H,4,7-9,14-15H2,1-3H3;6,9-12,15-16,18-19H,4-5,7-8,13-14H2,1-3H3;4-6,9-10,12-13,16-17,19,21H,3,7-8,11,14-15H2,1-2H3;3*5-6,10-13,16-17,19-20H,4,7-9,14-15H2,1-3H3;8-11,14-15,18-19H,4-7,12-13H2,1-3H3;3-5,7-8,10-13,15-16,21H,2,6,9,14,17H2,1H3,(H,30,35);3-7,9-10,12-15,17,21H,2,8,11,16,18H2,1H3,(H,29,34)/t18-,19+;19-,20+;18-,19+;19-,21+;3*19-,20+;18-,19+;;/m11111111../s1.
What are the key properties of N-(3-chlorophenyl)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide;1-[2-(2,6-difluorophenyl)-6-methoxy-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-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-phenylbenzimidazol-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)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;tris(1-[6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one);N-phenyl-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide?
N-(3-chlorophenyl)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide;1-[2-(2,6-difluorophenyl)-6-methoxy-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-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-phenylbenzimidazol-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)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;tris(1-[6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one);N-phenyl-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide has a molecular weight of 5018.75 g/mol, XLogP of 71.97, 72 rotatable bonds, 2 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide;1-[2-(2,6-difluorophenyl)-6-methoxy-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-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-phenylbenzimidazol-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)-6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;tris(1-[6-methoxy-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one);N-phenyl-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 167608666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).