N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)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;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one

C113H112ClFN10O11S5 — CID 167588058

About N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)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;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-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)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;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one (PubChem CID 167588058) has the molecular formula C113H112ClFN10O11S5 and a molecular weight of 2000.98 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-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)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;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-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)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;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one
• PubChem CID: 167588058
• Molecular Formula: C113H112ClFN10O11S5
• Molecular Weight: 2000.98 g/mol
• Exact Mass: 1998.68
• IUPAC Name: N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)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;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-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(-c4ccc(F)cc4O)nc4cc(C(=O)CC)ccc43)C2)s1.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
• InChI: InChI=1S/C30H27FN2O3S.C28H28ClN3O3S.C28H29N3O3S.C27H28N2O2S2/c1-3-22-10-13-29(37-22)28(36)15-18-6-5-7-21(14-18)33-25-12-8-19(26(34)4-2)16-24(25)32-30(33)23-11-9-20(31)17-27(23)35;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;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/h1,8-13,16-18,21,35H,4-7,14-15H2,2H3;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;5,8-13,16,18,20H,3-4,6-7,14-15H2,1-2H3/t18-,21+;19-,20+;2*18-,20+/m1111/s1
• InChIKey: IBCGTQRWIJWYMC-SHWPNFHCSA-N
• XLogP: 28.63
• TPSA: 293.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2000.98
LogP ≤ 5	28.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

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-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)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;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-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)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;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one (CID 167588058) is N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)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;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-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)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;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-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)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;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-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(-c4ccc(F)cc4O)nc4cc(C(=O)CC)ccc43)C2)s1.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.

What is the InChIKey of N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)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;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 IBCGTQRWIJWYMC-SHWPNFHCSA-N. The full InChI is InChI=1S/C30H27FN2O3S.C28H28ClN3O3S.C28H29N3O3S.C27H28N2O2S2/c1-3-22-10-13-29(37-22)28(36)15-18-6-5-7-21(14-18)33-25-12-8-19(26(34)4-2)16-24(25)32-30(33)23-11-9-20(31)17-27(23)35;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;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/h1,8-13,16-18,21,35H,4-7,14-15H2,2H3;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;5,8-13,16,18,20H,3-4,6-7,14-15H2,1-2H3/t18-,21+;19-,20+;2*18-,20+/m1111/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-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)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;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-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)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;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 2000.98 g/mol, XLogP of 28.63, 27 rotatable bonds, 4 hydrogen bond donors, and 25 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-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)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;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 167588058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).