N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;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;bis(1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one)

C139H141ClN14O12S7 — CID 167603388

About N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;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;bis(1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one)

N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;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;bis(1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one) (PubChem CID 167603388) has the molecular formula C139H141ClN14O12S7 and a molecular weight of 2459.66 g/mol. Its IUPAC name is N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;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;bis(1-[1-[(1S,3R)-3-[2-(5-methylthiophen-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-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;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;bis(1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one)
• PubChem CID: 167603388
• Molecular Formula: C139H141ClN14O12S7
• Molecular Weight: 2459.66 g/mol
• Exact Mass: 2456.86
• IUPAC Name: N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;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;bis(1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one)
• SMILES: CCC(=O)c1ccc2c(c1)nc(-c1cc(Cl)ccc1O)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(-c1cccs1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1cccs1)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/C29H28N4O2S.C28H28ClN3O3S.C28H29N3O3S.2C27H28N2O2S2/c1-3-25(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;1-3-24(33)17-8-10-23-22(13-17)31-27(21-14-18(29)9-11-25(21)34)32(23)20-6-4-5-19(15-20)30-28(35)26-12-7-16(2)36-26;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;2*1-3-23(30)19-10-11-22-21(16-19)28-27(26-8-5-13-32-26)29(22)20-7-4-6-18(14-20)15-24(31)25-12-9-17(2)33-25/h5,7,9-13,16,19,22H,3-4,6,8,14-15H2,1-2H3;7-14,19-20,34H,3-6,15H2,1-2H3,(H,30,35);7-12,15-16,18,20,32H,3-6,13-14H2,1-2H3;2*5,8-13,16,18,20H,3-4,6-7,14-15H2,1-2H3/t19-,22+;19-,20+;3*18-,20+/m11111/s1
• InChIKey: KAUMOENHXPQGDU-KTHVQGMOSA-N
• XLogP: 36.11
• TPSA: 361.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 34
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2459.66
LogP ≤ 5	36.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;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;bis(1-[1-[(1S,3R)-3-[2-(5-methylthiophen-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-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;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;bis(1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one) (CID 167603388) is N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;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;bis(1-[1-[(1S,3R)-3-[2-(5-methylthiophen-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-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;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;bis(1-[1-[(1S,3R)-3-[2-(5-methylthiophen-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-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;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;bis(1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one) is CCC(=O)c1ccc2c(c1)nc(-c1cc(Cl)ccc1O)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(-c1cccs1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1cccs1)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-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;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;bis(1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one)?

The InChIKey is KAUMOENHXPQGDU-KTHVQGMOSA-N. The full InChI is InChI=1S/C29H28N4O2S.C28H28ClN3O3S.C28H29N3O3S.2C27H28N2O2S2/c1-3-25(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;1-3-24(33)17-8-10-23-22(13-17)31-27(21-14-18(29)9-11-25(21)34)32(23)20-6-4-5-19(15-20)30-28(35)26-12-7-16(2)36-26;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;2*1-3-23(30)19-10-11-22-21(16-19)28-27(26-8-5-13-32-26)29(22)20-7-4-6-18(14-20)15-24(31)25-12-9-17(2)33-25/h5,7,9-13,16,19,22H,3-4,6,8,14-15H2,1-2H3;7-14,19-20,34H,3-6,15H2,1-2H3,(H,30,35);7-12,15-16,18,20,32H,3-6,13-14H2,1-2H3;2*5,8-13,16,18,20H,3-4,6-7,14-15H2,1-2H3/t19-,22+;19-,20+;3*18-,20+/m11111/s1.

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

N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;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;bis(1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one) has a molecular weight of 2459.66 g/mol, XLogP of 36.11, 34 rotatable bonds, 3 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-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;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;bis(1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one) is sourced from PubChem (CID 167603388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).