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

C29H31N3O4 — CID 91543993

IUPAC1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-1-(4-hydroxyphenyl)-4-oxopentan-2-yl]benzimidazole-5-carboxamide
SMILESCC(=O)C[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1
InChIInChI=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
InChIKeyDXPLURISNKMNQA-HSZRJFAPSA-N
MW485.58 g/mol
LogP5.83
Rot. Bonds8

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 Name1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-1-(4-hydroxyphenyl)-4-oxopentan-2-yl]benzimidazole-5-carboxamide
PubChem CID91543993
Molecular FormulaC29H31N3O4
Molecular Weight485.58 g/mol
Exact Mass485.23
IUPAC Name1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-1-(4-hydroxyphenyl)-4-oxopentan-2-yl]benzimidazole-5-carboxamide
SMILESCC(=O)C[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1
InChIInChI=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
InChIKeyDXPLURISNKMNQA-HSZRJFAPSA-N
XLogP5.83
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.58
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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).