(2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone

C22H18N2O — CID 5153789

IUPAC(2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)n2c(Cc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C22H18N2O/c1-16-8-7-11-18(14-16)22(25)24-20-13-6-5-12-19(20)23-21(24)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3
InChIKeyMNISDECQTGIGTE-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.62
Rot. Bonds3

About (2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone

(2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone (PubChem CID 5153789) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is (2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone
PubChem CID5153789
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name(2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)n2c(Cc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C22H18N2O/c1-16-8-7-11-18(14-16)22(25)24-20-13-6-5-12-19(20)23-21(24)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3
InChIKeyMNISDECQTGIGTE-UHFFFAOYSA-N
XLogP4.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone 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-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone?
The IUPAC name of (2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone (CID 5153789) is (2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)n2c(Cc3ccccc3)nc3ccccc32)c1.
What is the InChIKey of (2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone?
The InChIKey is MNISDECQTGIGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-16-8-7-11-18(14-16)22(25)24-20-13-6-5-12-19(20)23-21(24)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3.
What are the key properties of (2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone?
(2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone has a molecular weight of 326.40 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 5153789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).