N-cyclohexyl-2-cyclopentyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide

C34H39N3O3 — CID 69083274

IUPACN-cyclohexyl-2-cyclopentyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide
SMILESCOc1ccc(-c2nc3ccccc3n2C(C(=O)N(c2ccccc2)C2CCCCC2)C2CCCC2)c(OC)c1
InChIInChI=1S/C34H39N3O3/c1-39-27-21-22-28(31(23-27)40-2)33-35-29-19-11-12-20-30(29)37(33)32(24-13-9-10-14-24)34(38)36(25-15-5-3-6-16-25)26-17-7-4-8-18-26/h3,5-6,11-12,15-16,19-24,26,32H,4,7-10,13-14,17-18H2,1-2H3
InChIKeyQGSPAGOVYOMQHB-UHFFFAOYSA-N
MW537.70 g/mol
LogP7.82
Rot. Bonds8

About N-cyclohexyl-2-cyclopentyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide

N-cyclohexyl-2-cyclopentyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide (PubChem CID 69083274) has the molecular formula C34H39N3O3 and a molecular weight of 537.70 g/mol. Its IUPAC name is N-cyclohexyl-2-cyclopentyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-cyclopentyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide
PubChem CID69083274
Molecular FormulaC34H39N3O3
Molecular Weight537.70 g/mol
Exact Mass537.30
IUPAC NameN-cyclohexyl-2-cyclopentyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide
SMILESCOc1ccc(-c2nc3ccccc3n2C(C(=O)N(c2ccccc2)C2CCCCC2)C2CCCC2)c(OC)c1
InChIInChI=1S/C34H39N3O3/c1-39-27-21-22-28(31(23-27)40-2)33-35-29-19-11-12-20-30(29)37(33)32(24-13-9-10-14-24)34(38)36(25-15-5-3-6-16-25)26-17-7-4-8-18-26/h3,5-6,11-12,15-16,19-24,26,32H,4,7-10,13-14,17-18H2,1-2H3
InChIKeyQGSPAGOVYOMQHB-UHFFFAOYSA-N
XLogP7.82
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.70
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-cyclopentyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide?
The IUPAC name of N-cyclohexyl-2-cyclopentyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide (CID 69083274) is N-cyclohexyl-2-cyclopentyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-cyclohexyl-2-cyclopentyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide?
The canonical SMILES for N-cyclohexyl-2-cyclopentyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide is COc1ccc(-c2nc3ccccc3n2C(C(=O)N(c2ccccc2)C2CCCCC2)C2CCCC2)c(OC)c1.
What is the InChIKey of N-cyclohexyl-2-cyclopentyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide?
The InChIKey is QGSPAGOVYOMQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N3O3/c1-39-27-21-22-28(31(23-27)40-2)33-35-29-19-11-12-20-30(29)37(33)32(24-13-9-10-14-24)34(38)36(25-15-5-3-6-16-25)26-17-7-4-8-18-26/h3,5-6,11-12,15-16,19-24,26,32H,4,7-10,13-14,17-18H2,1-2H3.
What are the key properties of N-cyclohexyl-2-cyclopentyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide?
N-cyclohexyl-2-cyclopentyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide has a molecular weight of 537.70 g/mol, XLogP of 7.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-cyclopentyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 69083274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).