2-[3-(1-cyclohexylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide

C21H30N4O2 — CID 46879993

IUPAC2-[3-(1-cyclohexylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(C3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C21H30N4O2/c1-22-20(26)15-24-18-9-5-6-10-19(18)25(21(24)27)17-11-13-23(14-12-17)16-7-3-2-4-8-16/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,22,26)
InChIKeyWKKRJIVFCWLDCU-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.52
Rot. Bonds4

About 2-[3-(1-cyclohexylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide

2-[3-(1-cyclohexylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide (PubChem CID 46879993) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[3-(1-cyclohexylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(1-cyclohexylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide
PubChem CID46879993
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-[3-(1-cyclohexylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(C3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C21H30N4O2/c1-22-20(26)15-24-18-9-5-6-10-19(18)25(21(24)27)17-11-13-23(14-12-17)16-7-3-2-4-8-16/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,22,26)
InChIKeyWKKRJIVFCWLDCU-UHFFFAOYSA-N
XLogP2.52
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(1-cyclohexylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide 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-[3-(1-cyclohexylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-(1-cyclohexylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide (CID 46879993) is 2-[3-(1-cyclohexylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(1-cyclohexylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-(1-cyclohexylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide is CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCC3)CC2)c2ccccc21.
What is the InChIKey of 2-[3-(1-cyclohexylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The InChIKey is WKKRJIVFCWLDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-22-20(26)15-24-18-9-5-6-10-19(18)25(21(24)27)17-11-13-23(14-12-17)16-7-3-2-4-8-16/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,22,26).
What are the key properties of 2-[3-(1-cyclohexylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide?
2-[3-(1-cyclohexylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide has a molecular weight of 370.50 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-cyclohexylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 46879993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).