2-[2-(4-chlorophenyl)-6-methoxybenzimidazol-1-yl]-N,2-dicyclohexylacetamide

C28H34ClN3O2 — CID 53321278

IUPAC2-[2-(4-chlorophenyl)-6-methoxybenzimidazol-1-yl]-N,2-dicyclohexylacetamide
SMILESCOc1ccc2nc(-c3ccc(Cl)cc3)n(C(C(=O)NC3CCCCC3)C3CCCCC3)c2c1
InChIInChI=1S/C28H34ClN3O2/c1-34-23-16-17-24-25(18-23)32(27(31-24)20-12-14-21(29)15-13-20)26(19-8-4-2-5-9-19)28(33)30-22-10-6-3-7-11-22/h12-19,22,26H,2-11H2,1H3,(H,30,33)
InChIKeyFICSTGBZKOGDOI-UHFFFAOYSA-N
MW480.05 g/mol
LogP6.94
Rot. Bonds6

About 2-[2-(4-chlorophenyl)-6-methoxybenzimidazol-1-yl]-N,2-dicyclohexylacetamide

2-[2-(4-chlorophenyl)-6-methoxybenzimidazol-1-yl]-N,2-dicyclohexylacetamide (PubChem CID 53321278) has the molecular formula C28H34ClN3O2 and a molecular weight of 480.05 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-6-methoxybenzimidazol-1-yl]-N,2-dicyclohexylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-6-methoxybenzimidazol-1-yl]-N,2-dicyclohexylacetamide
PubChem CID53321278
Molecular FormulaC28H34ClN3O2
Molecular Weight480.05 g/mol
Exact Mass479.23
IUPAC Name2-[2-(4-chlorophenyl)-6-methoxybenzimidazol-1-yl]-N,2-dicyclohexylacetamide
SMILESCOc1ccc2nc(-c3ccc(Cl)cc3)n(C(C(=O)NC3CCCCC3)C3CCCCC3)c2c1
InChIInChI=1S/C28H34ClN3O2/c1-34-23-16-17-24-25(18-23)32(27(31-24)20-12-14-21(29)15-13-20)26(19-8-4-2-5-9-19)28(33)30-22-10-6-3-7-11-22/h12-19,22,26H,2-11H2,1H3,(H,30,33)
InChIKeyFICSTGBZKOGDOI-UHFFFAOYSA-N
XLogP6.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.05
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-6-methoxybenzimidazol-1-yl]-N,2-dicyclohexylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-6-methoxybenzimidazol-1-yl]-N,2-dicyclohexylacetamide (CID 53321278) is 2-[2-(4-chlorophenyl)-6-methoxybenzimidazol-1-yl]-N,2-dicyclohexylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-6-methoxybenzimidazol-1-yl]-N,2-dicyclohexylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-6-methoxybenzimidazol-1-yl]-N,2-dicyclohexylacetamide is COc1ccc2nc(-c3ccc(Cl)cc3)n(C(C(=O)NC3CCCCC3)C3CCCCC3)c2c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-6-methoxybenzimidazol-1-yl]-N,2-dicyclohexylacetamide?
The InChIKey is FICSTGBZKOGDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN3O2/c1-34-23-16-17-24-25(18-23)32(27(31-24)20-12-14-21(29)15-13-20)26(19-8-4-2-5-9-19)28(33)30-22-10-6-3-7-11-22/h12-19,22,26H,2-11H2,1H3,(H,30,33).
What are the key properties of 2-[2-(4-chlorophenyl)-6-methoxybenzimidazol-1-yl]-N,2-dicyclohexylacetamide?
2-[2-(4-chlorophenyl)-6-methoxybenzimidazol-1-yl]-N,2-dicyclohexylacetamide has a molecular weight of 480.05 g/mol, XLogP of 6.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-6-methoxybenzimidazol-1-yl]-N,2-dicyclohexylacetamide is sourced from PubChem (CID 53321278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).