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;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile

C145H143Cl2FN14O14S5 — CID 167640240

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;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile

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;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile (PubChem CID 167640240) has the molecular formula C145H143Cl2FN14O14S5 and a molecular weight of 2556.06 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;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile.

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;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile
• PubChem CID: 167640240
• Molecular Formula: C145H143Cl2FN14O14S5
• Molecular Weight: 2556.06 g/mol
• Exact Mass: 2552.89
• 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;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile
• SMILES: C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4c(O)cccc4Cl)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1c(O)cccc1F)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.CCC(=O)c1ccc2c(c1)nc(-c1ccc(O)cn1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ncccc1C#N)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1
• InChI: InChI=1S/C30H27ClN2O3S.C29H30ClN3O3S.C29H29FN2O3S.C29H28N4O2S.C28H29N3O3S/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;1-3-24(33)19-11-12-23-22(16-19)31-29(28-21(30)8-5-9-25(28)34)32(23)20-7-4-6-18(14-20)15-26(35)27-13-10-17(2)36-27;1-3-25(34)20-10-11-24-23(16-20)32-29(28-21(17-30)7-5-13-31-28)33(24)22-8-4-6-19(14-22)15-26(35)27-12-9-18(2)36-27;1-3-25(33)19-8-11-24-23(15-19)30-28(22-10-9-21(32)16-29-22)31(24)20-6-4-5-18(13-20)14-26(34)27-12-7-17(2)35-27/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);5,8-13,16,18,20,34H,3-4,6-7,14-15H2,1-2H3;5,7,9-13,16,19,22H,3-4,6,8,14-15H2,1-2H3;7-12,15-16,18,20,32H,3-6,13-14H2,1-2H3/t18-,20+;20-,21+;18-,20+;19-,22+;18-,20+/m11111/s1
• InChIKey: PBKRYSBWUAZYOW-XBPZLOGZSA-N
• XLogP: 36.17
• TPSA: 402.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 34
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2556.06
LogP ≤ 5	36.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

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;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile?

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;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile (CID 167640240) 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;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile.

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;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile?

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;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile is C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4c(O)cccc4Cl)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1c(O)cccc1F)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.CCC(=O)c1ccc2c(c1)nc(-c1ccc(O)cn1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ncccc1C#N)n2[C@H]1CCC[C@@H](CC(=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;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile?

The InChIKey is PBKRYSBWUAZYOW-XBPZLOGZSA-N. The full InChI is InChI=1S/C30H27ClN2O3S.C29H30ClN3O3S.C29H29FN2O3S.C29H28N4O2S.C28H29N3O3S/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;1-3-24(33)19-11-12-23-22(16-19)31-29(28-21(30)8-5-9-25(28)34)32(23)20-7-4-6-18(14-20)15-26(35)27-13-10-17(2)36-27;1-3-25(34)20-10-11-24-23(16-20)32-29(28-21(17-30)7-5-13-31-28)33(24)22-8-4-6-19(14-22)15-26(35)27-12-9-18(2)36-27;1-3-25(33)19-8-11-24-23(15-19)30-28(22-10-9-21(32)16-29-22)31(24)20-6-4-5-18(13-20)14-26(34)27-12-7-17(2)35-27/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);5,8-13,16,18,20,34H,3-4,6-7,14-15H2,1-2H3;5,7,9-13,16,19,22H,3-4,6,8,14-15H2,1-2H3;7-12,15-16,18,20,32H,3-6,13-14H2,1-2H3/t18-,20+;20-,21+;18-,20+;19-,22+;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;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile?

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;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile has a molecular weight of 2556.06 g/mol, XLogP of 36.17, 34 rotatable bonds, 5 hydrogen bond donors, and 32 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;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 167640240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).