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-[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-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one

C142H133Cl2F8N13O13S5 — CID 167641828

About 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-[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-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one

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-[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-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one (PubChem CID 167641828) has the molecular formula C142H133Cl2F8N13O13S5 and a molecular weight of 2612.93 g/mol. Its IUPAC name is 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-[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-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 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-[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-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
• PubChem CID: 167641828
• Molecular Formula: C142H133Cl2F8N13O13S5
• Molecular Weight: 2612.93 g/mol
• Exact Mass: 2609.80
• IUPAC Name: 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-[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-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
• SMILES: C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4c(F)ccc(F)c4O)nc4cc(C(=O)CC)c(F)cc43)C2)s1.CCC(=O)c1cc2nc(-c3c(F)ccc(F)c3O)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccn3)n(C3COCC(CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccn3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1Cl.CCC(=O)c1cc2nc(-c3ncccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1Cl
• InChI: InChI=1S/C30H25F3N2O3S.C29H27F3N2O3S.C28H27ClFN3O2S.C28H28ClN3O2S.C27H26FN3O3S/c1-3-18-8-11-27(39-18)26(37)13-16-6-5-7-17(12-16)35-24-15-22(33)19(25(36)4-2)14-23(24)34-30(35)28-20(31)9-10-21(32)29(28)38;1-3-24(35)18-13-22-23(14-21(18)32)34(29(33-22)27-19(30)8-9-20(31)28(27)37)17-6-4-5-16(11-17)12-25(36)26-10-7-15(2)38-26;1-3-24(34)19-14-22-23(15-20(19)29)33(28(32-22)27-21(30)8-5-11-31-27)18-7-4-6-17(12-18)13-25(35)26-10-9-16(2)36-26;1-3-25(33)20-15-23-24(16-21(20)29)32(28(31-23)22-9-4-5-12-30-22)19-8-6-7-18(13-19)14-26(34)27-11-10-17(2)35-27;1-3-24(32)19-12-22-23(13-20(19)28)31(27(30-22)21-6-4-5-9-29-21)18-10-17(14-34-15-18)11-25(33)26-8-7-16(2)35-26/h1,8-11,14-17,38H,4-7,12-13H2,2H3;7-10,13-14,16-17,37H,3-6,11-12H2,1-2H3;5,8-11,14-15,17-18H,3-4,6-7,12-13H2,1-2H3;4-5,9-12,15-16,18-19H,3,6-8,13-14H2,1-2H3;4-9,12-13,17-18H,3,10-11,14-15H2,1-2H3/t2*16-,17+;17-,18+;18-,19+;/m1111./s1
• InChIKey: PGPONPCZJZUBHG-WIUQWBIOSA-N
• XLogP: 36.89
• TPSA: 348.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 35
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2612.93
LogP ≤ 5	36.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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-[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-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?

The IUPAC name of 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-[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-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one (CID 167641828) is 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-[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-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one.

What is the SMILES notation for 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-[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-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?

The canonical SMILES for 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-[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-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one is C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4c(F)ccc(F)c4O)nc4cc(C(=O)CC)c(F)cc43)C2)s1.CCC(=O)c1cc2nc(-c3c(F)ccc(F)c3O)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccn3)n(C3COCC(CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccn3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1Cl.CCC(=O)c1cc2nc(-c3ncccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1Cl.

What is the InChIKey of 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-[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-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?

The InChIKey is PGPONPCZJZUBHG-WIUQWBIOSA-N. The full InChI is InChI=1S/C30H25F3N2O3S.C29H27F3N2O3S.C28H27ClFN3O2S.C28H28ClN3O2S.C27H26FN3O3S/c1-3-18-8-11-27(39-18)26(37)13-16-6-5-7-17(12-16)35-24-15-22(33)19(25(36)4-2)14-23(24)34-30(35)28-20(31)9-10-21(32)29(28)38;1-3-24(35)18-13-22-23(14-21(18)32)34(29(33-22)27-19(30)8-9-20(31)28(27)37)17-6-4-5-16(11-17)12-25(36)26-10-7-15(2)38-26;1-3-24(34)19-14-22-23(15-20(19)29)33(28(32-22)27-21(30)8-5-11-31-27)18-7-4-6-17(12-18)13-25(35)26-10-9-16(2)36-26;1-3-25(33)20-15-23-24(16-21(20)29)32(28(31-23)22-9-4-5-12-30-22)19-8-6-7-18(13-19)14-26(34)27-11-10-17(2)35-27;1-3-24(32)19-12-22-23(13-20(19)28)31(27(30-22)21-6-4-5-9-29-21)18-10-17(14-34-15-18)11-25(33)26-8-7-16(2)35-26/h1,8-11,14-17,38H,4-7,12-13H2,2H3;7-10,13-14,16-17,37H,3-6,11-12H2,1-2H3;5,8-11,14-15,17-18H,3-4,6-7,12-13H2,1-2H3;4-5,9-12,15-16,18-19H,3,6-8,13-14H2,1-2H3;4-9,12-13,17-18H,3,10-11,14-15H2,1-2H3/t2*16-,17+;17-,18+;18-,19+;/m1111./s1.

What are the key properties of 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-[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-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?

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-[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-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one has a molecular weight of 2612.93 g/mol, XLogP of 36.89, 35 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 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-[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-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one is sourced from PubChem (CID 167641828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).