1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-1-(4-hydroxyphenyl)-4-oxopentan-2-yl]benzimidazole-5-carboxamide

C29H31N3O4 — CID 91543993

About 1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-1-(4-hydroxyphenyl)-4-oxopentan-2-yl]benzimidazole-5-carboxamide

1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-1-(4-hydroxyphenyl)-4-oxopentan-2-yl]benzimidazole-5-carboxamide (PubChem CID 91543993) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is 1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-1-(4-hydroxyphenyl)-4-oxopentan-2-yl]benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-1-(4-hydroxyphenyl)-4-oxopentan-2-yl]benzimidazole-5-carboxamide
• PubChem CID: 91543993
• Molecular Formula: C29H31N3O4
• Molecular Weight: 485.58 g/mol
• Exact Mass: 485.23
• IUPAC Name: 1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-1-(4-hydroxyphenyl)-4-oxopentan-2-yl]benzimidazole-5-carboxamide
• SMILES: CC(=O)C[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1
• InChI: InChI=1S/C29H31N3O4/c1-19(33)15-23(16-20-7-10-25(34)11-8-20)30-29(35)21-9-12-27-26(17-21)31-28(22-13-14-36-18-22)32(27)24-5-3-2-4-6-24/h7-14,17-18,23-24,34H,2-6,15-16H2,1H3,(H,30,35)/t23-/m1/s1
• InChIKey: DXPLURISNKMNQA-HSZRJFAPSA-N
• XLogP: 5.83
• TPSA: 97.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.58
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-1-(4-hydroxyphenyl)-4-oxopentan-2-yl]benzimidazole-5-carboxamide?

The IUPAC name of 1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-1-(4-hydroxyphenyl)-4-oxopentan-2-yl]benzimidazole-5-carboxamide (CID 91543993) is 1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-1-(4-hydroxyphenyl)-4-oxopentan-2-yl]benzimidazole-5-carboxamide.

What is the SMILES notation for 1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-1-(4-hydroxyphenyl)-4-oxopentan-2-yl]benzimidazole-5-carboxamide?

The canonical SMILES for 1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-1-(4-hydroxyphenyl)-4-oxopentan-2-yl]benzimidazole-5-carboxamide is CC(=O)C[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1.

What is the InChIKey of 1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-1-(4-hydroxyphenyl)-4-oxopentan-2-yl]benzimidazole-5-carboxamide?

The InChIKey is DXPLURISNKMNQA-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H31N3O4/c1-19(33)15-23(16-20-7-10-25(34)11-8-20)30-29(35)21-9-12-27-26(17-21)31-28(22-13-14-36-18-22)32(27)24-5-3-2-4-6-24/h7-14,17-18,23-24,34H,2-6,15-16H2,1H3,(H,30,35)/t23-/m1/s1.

What are the key properties of 1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-1-(4-hydroxyphenyl)-4-oxopentan-2-yl]benzimidazole-5-carboxamide?

1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-1-(4-hydroxyphenyl)-4-oxopentan-2-yl]benzimidazole-5-carboxamide has a molecular weight of 485.58 g/mol, XLogP of 5.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-1-(4-hydroxyphenyl)-4-oxopentan-2-yl]benzimidazole-5-carboxamide is sourced from PubChem (CID 91543993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).