[2-(2-methylpropyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone

C22H20N2O — CID 134137187

IUPAC[2-(2-methylpropyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone
SMILESCC(C)Cc1nc2ccccc2n1C(=O)c1cccc2ccccc12
InChIInChI=1S/C22H20N2O/c1-15(2)14-21-23-19-12-5-6-13-20(19)24(21)22(25)18-11-7-9-16-8-3-4-10-17(16)18/h3-13,15H,14H2,1-2H3
InChIKeyLVLQTZZPPOGMGE-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.08
Rot. Bonds3

About [2-(2-methylpropyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone

[2-(2-methylpropyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone (PubChem CID 134137187) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is [2-(2-methylpropyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-methylpropyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone
PubChem CID134137187
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name[2-(2-methylpropyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone
SMILESCC(C)Cc1nc2ccccc2n1C(=O)c1cccc2ccccc12
InChIInChI=1S/C22H20N2O/c1-15(2)14-21-23-19-12-5-6-13-20(19)24(21)22(25)18-11-7-9-16-8-3-4-10-17(16)18/h3-13,15H,14H2,1-2H3
InChIKeyLVLQTZZPPOGMGE-UHFFFAOYSA-N
XLogP5.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(2-methylpropyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone 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-methylpropyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [2-(2-methylpropyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone (CID 134137187) is [2-(2-methylpropyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [2-(2-methylpropyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [2-(2-methylpropyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone is CC(C)Cc1nc2ccccc2n1C(=O)c1cccc2ccccc12.
What is the InChIKey of [2-(2-methylpropyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is LVLQTZZPPOGMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-15(2)14-21-23-19-12-5-6-13-20(19)24(21)22(25)18-11-7-9-16-8-3-4-10-17(16)18/h3-13,15H,14H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone?
[2-(2-methylpropyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 328.42 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 134137187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).