N-[(1R,3S)-3-[2-(5-chloro-2-hydroxy-3-methylphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[2-(2-chloro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-ethynylthiophene-2-carboxamide;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;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one

C145H137Cl3F2N12O14S6 — CID 167620093

About N-[(1R,3S)-3-[2-(5-chloro-2-hydroxy-3-methylphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[2-(2-chloro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-ethynylthiophene-2-carboxamide;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;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one

N-[(1R,3S)-3-[2-(5-chloro-2-hydroxy-3-methylphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[2-(2-chloro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-ethynylthiophene-2-carboxamide;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;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one (PubChem CID 167620093) has the molecular formula C145H137Cl3F2N12O14S6 and a molecular weight of 2608.52 g/mol. Its IUPAC name is N-[(1R,3S)-3-[2-(5-chloro-2-hydroxy-3-methylphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[2-(2-chloro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-ethynylthiophene-2-carboxamide;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;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one.

Molecular Properties

• Compound Name: N-[(1R,3S)-3-[2-(5-chloro-2-hydroxy-3-methylphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[2-(2-chloro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-ethynylthiophene-2-carboxamide;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;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one
• PubChem CID: 167620093
• Molecular Formula: C145H137Cl3F2N12O14S6
• Molecular Weight: 2608.52 g/mol
• Exact Mass: 2604.77
• IUPAC Name: N-[(1R,3S)-3-[2-(5-chloro-2-hydroxy-3-methylphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[2-(2-chloro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-ethynylthiophene-2-carboxamide;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;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one
• SMILES: C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4c(O)cccc4Cl)nc4cc(C(=O)CC)ccc43)C2)s1.C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4cccs4)nc4cc(C(=O)CC)ccc43)C2)s1.C#Cc1ccc(C(=O)N[C@@H]2CCC[C@H](n3c(-c4cc(Cl)ccc4O)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1c(O)ccc(F)c1F)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1cc(Cl)cc(C)c1O)n2[C@H]1CCC[C@@H](NC(=O)c2ccc(C)s2)C1
• InChI: InChI=1S/C30H27ClN2O3S.C29H30ClN3O3S.C29H26ClN3O3S.C29H28F2N2O3S.C28H26N2O2S2/c1-3-21-12-14-28(37-21)27(36)16-18-7-5-8-20(15-18)33-24-13-11-19(25(34)4-2)17-23(24)32-30(33)29-22(31)9-6-10-26(29)35;1-4-25(34)18-9-10-24-23(13-18)32-28(22-14-19(30)12-16(2)27(22)35)33(24)21-7-5-6-20(15-21)31-29(36)26-11-8-17(3)37-26;1-3-21-10-13-27(37-21)29(36)31-19-6-5-7-20(16-19)33-24-11-8-17(25(34)4-2)14-23(24)32-28(33)22-15-18(30)9-12-26(22)35;1-3-23(34)18-8-10-22-21(15-18)32-29(27-24(35)11-9-20(30)28(27)31)33(22)19-6-4-5-17(13-19)14-25(36)26-12-7-16(2)37-26;1-3-21-11-13-26(34-21)25(32)16-18-7-5-8-20(15-18)30-23-12-10-19(24(31)4-2)17-22(23)29-28(30)27-9-6-14-33-27/h1,6,9-14,17-18,20,35H,4-5,7-8,15-16H2,2H3;8-14,20-21,35H,4-7,15H2,1-3H3,(H,31,36);1,8-15,19-20,35H,4-7,16H2,2H3,(H,31,36);7-12,15,17,19,35H,3-6,13-14H2,1-2H3;1,6,9-14,17-18,20H,4-5,7-8,15-16H2,2H3/t18-,20+;20-,21+;19-,20+;17-,19+;18-,20+/m11111/s1
• InChIKey: MHXOOINHHDRKCJ-MAQJJWHZSA-N
• XLogP: 36.62
• TPSA: 364.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 33
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2608.52
LogP ≤ 5	36.62
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[2-(5-chloro-2-hydroxy-3-methylphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[2-(2-chloro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-ethynylthiophene-2-carboxamide;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;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one?

The IUPAC name of N-[(1R,3S)-3-[2-(5-chloro-2-hydroxy-3-methylphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[2-(2-chloro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-ethynylthiophene-2-carboxamide;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;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one (CID 167620093) is N-[(1R,3S)-3-[2-(5-chloro-2-hydroxy-3-methylphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[2-(2-chloro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-ethynylthiophene-2-carboxamide;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;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one.

What is the SMILES notation for N-[(1R,3S)-3-[2-(5-chloro-2-hydroxy-3-methylphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[2-(2-chloro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-ethynylthiophene-2-carboxamide;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;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one?

The canonical SMILES for N-[(1R,3S)-3-[2-(5-chloro-2-hydroxy-3-methylphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[2-(2-chloro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-ethynylthiophene-2-carboxamide;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;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one is C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4c(O)cccc4Cl)nc4cc(C(=O)CC)ccc43)C2)s1.C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4cccs4)nc4cc(C(=O)CC)ccc43)C2)s1.C#Cc1ccc(C(=O)N[C@@H]2CCC[C@H](n3c(-c4cc(Cl)ccc4O)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1c(O)ccc(F)c1F)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1cc(Cl)cc(C)c1O)n2[C@H]1CCC[C@@H](NC(=O)c2ccc(C)s2)C1.

What is the InChIKey of N-[(1R,3S)-3-[2-(5-chloro-2-hydroxy-3-methylphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[2-(2-chloro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-ethynylthiophene-2-carboxamide;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;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one?

The InChIKey is MHXOOINHHDRKCJ-MAQJJWHZSA-N. The full InChI is InChI=1S/C30H27ClN2O3S.C29H30ClN3O3S.C29H26ClN3O3S.C29H28F2N2O3S.C28H26N2O2S2/c1-3-21-12-14-28(37-21)27(36)16-18-7-5-8-20(15-18)33-24-13-11-19(25(34)4-2)17-23(24)32-30(33)29-22(31)9-6-10-26(29)35;1-4-25(34)18-9-10-24-23(13-18)32-28(22-14-19(30)12-16(2)27(22)35)33(24)21-7-5-6-20(15-21)31-29(36)26-11-8-17(3)37-26;1-3-21-10-13-27(37-21)29(36)31-19-6-5-7-20(16-19)33-24-11-8-17(25(34)4-2)14-23(24)32-28(33)22-15-18(30)9-12-26(22)35;1-3-23(34)18-8-10-22-21(15-18)32-29(27-24(35)11-9-20(30)28(27)31)33(22)19-6-4-5-17(13-19)14-25(36)26-12-7-16(2)37-26;1-3-21-11-13-26(34-21)25(32)16-18-7-5-8-20(15-18)30-23-12-10-19(24(31)4-2)17-22(23)29-28(30)27-9-6-14-33-27/h1,6,9-14,17-18,20,35H,4-5,7-8,15-16H2,2H3;8-14,20-21,35H,4-7,15H2,1-3H3,(H,31,36);1,8-15,19-20,35H,4-7,16H2,2H3,(H,31,36);7-12,15,17,19,35H,3-6,13-14H2,1-2H3;1,6,9-14,17-18,20H,4-5,7-8,15-16H2,2H3/t18-,20+;20-,21+;19-,20+;17-,19+;18-,20+/m11111/s1.

What are the key properties of N-[(1R,3S)-3-[2-(5-chloro-2-hydroxy-3-methylphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[2-(2-chloro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-ethynylthiophene-2-carboxamide;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;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one?

N-[(1R,3S)-3-[2-(5-chloro-2-hydroxy-3-methylphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[2-(2-chloro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-ethynylthiophene-2-carboxamide;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;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one has a molecular weight of 2608.52 g/mol, XLogP of 36.62, 33 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,3S)-3-[2-(5-chloro-2-hydroxy-3-methylphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[2-(2-chloro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-ethynylthiophene-2-carboxamide;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;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one is sourced from PubChem (CID 167620093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).