2-[2-(4-chloro-3-fluorophenyl)-6-methoxybenzimidazol-1-yl]-2-cyclohexyl-N-cyclopentylacetamide

C27H31ClFN3O2 — CID 68698344

IUPAC2-[2-(4-chloro-3-fluorophenyl)-6-methoxybenzimidazol-1-yl]-2-cyclohexyl-N-cyclopentylacetamide
SMILESCOc1ccc2nc(-c3ccc(Cl)c(F)c3)n(C(C(=O)NC3CCCC3)C3CCCCC3)c2c1
InChIInChI=1S/C27H31ClFN3O2/c1-34-20-12-14-23-24(16-20)32(26(31-23)18-11-13-21(28)22(29)15-18)25(17-7-3-2-4-8-17)27(33)30-19-9-5-6-10-19/h11-17,19,25H,2-10H2,1H3,(H,30,33)
InChIKeyDOHPTJQIVWHOPE-UHFFFAOYSA-N
MW484.02 g/mol
LogP6.68
Rot. Bonds6

About 2-[2-(4-chloro-3-fluorophenyl)-6-methoxybenzimidazol-1-yl]-2-cyclohexyl-N-cyclopentylacetamide

2-[2-(4-chloro-3-fluorophenyl)-6-methoxybenzimidazol-1-yl]-2-cyclohexyl-N-cyclopentylacetamide (PubChem CID 68698344) has the molecular formula C27H31ClFN3O2 and a molecular weight of 484.02 g/mol. Its IUPAC name is 2-[2-(4-chloro-3-fluorophenyl)-6-methoxybenzimidazol-1-yl]-2-cyclohexyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[2-(4-chloro-3-fluorophenyl)-6-methoxybenzimidazol-1-yl]-2-cyclohexyl-N-cyclopentylacetamide
PubChem CID68698344
Molecular FormulaC27H31ClFN3O2
Molecular Weight484.02 g/mol
Exact Mass483.21
IUPAC Name2-[2-(4-chloro-3-fluorophenyl)-6-methoxybenzimidazol-1-yl]-2-cyclohexyl-N-cyclopentylacetamide
SMILESCOc1ccc2nc(-c3ccc(Cl)c(F)c3)n(C(C(=O)NC3CCCC3)C3CCCCC3)c2c1
InChIInChI=1S/C27H31ClFN3O2/c1-34-20-12-14-23-24(16-20)32(26(31-23)18-11-13-21(28)22(29)15-18)25(17-7-3-2-4-8-17)27(33)30-19-9-5-6-10-19/h11-17,19,25H,2-10H2,1H3,(H,30,33)
InChIKeyDOHPTJQIVWHOPE-UHFFFAOYSA-N
XLogP6.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.02
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-chloro-3-fluorophenyl)-6-methoxybenzimidazol-1-yl]-2-cyclohexyl-N-cyclopentylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-3-fluorophenyl)-6-methoxybenzimidazol-1-yl]-2-cyclohexyl-N-cyclopentylacetamide?
The IUPAC name of 2-[2-(4-chloro-3-fluorophenyl)-6-methoxybenzimidazol-1-yl]-2-cyclohexyl-N-cyclopentylacetamide (CID 68698344) is 2-[2-(4-chloro-3-fluorophenyl)-6-methoxybenzimidazol-1-yl]-2-cyclohexyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-[2-(4-chloro-3-fluorophenyl)-6-methoxybenzimidazol-1-yl]-2-cyclohexyl-N-cyclopentylacetamide?
The canonical SMILES for 2-[2-(4-chloro-3-fluorophenyl)-6-methoxybenzimidazol-1-yl]-2-cyclohexyl-N-cyclopentylacetamide is COc1ccc2nc(-c3ccc(Cl)c(F)c3)n(C(C(=O)NC3CCCC3)C3CCCCC3)c2c1.
What is the InChIKey of 2-[2-(4-chloro-3-fluorophenyl)-6-methoxybenzimidazol-1-yl]-2-cyclohexyl-N-cyclopentylacetamide?
The InChIKey is DOHPTJQIVWHOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClFN3O2/c1-34-20-12-14-23-24(16-20)32(26(31-23)18-11-13-21(28)22(29)15-18)25(17-7-3-2-4-8-17)27(33)30-19-9-5-6-10-19/h11-17,19,25H,2-10H2,1H3,(H,30,33).
What are the key properties of 2-[2-(4-chloro-3-fluorophenyl)-6-methoxybenzimidazol-1-yl]-2-cyclohexyl-N-cyclopentylacetamide?
2-[2-(4-chloro-3-fluorophenyl)-6-methoxybenzimidazol-1-yl]-2-cyclohexyl-N-cyclopentylacetamide has a molecular weight of 484.02 g/mol, XLogP of 6.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-3-fluorophenyl)-6-methoxybenzimidazol-1-yl]-2-cyclohexyl-N-cyclopentylacetamide is sourced from PubChem (CID 68698344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).