5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one

C17H18N2O — CID 167583798

IUPAC5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one
SMILESCC(=O)CCCn1c(C)nc2cc3ccccc3cc21
InChIInChI=1S/C17H18N2O/c1-12(20)6-5-9-19-13(2)18-16-10-14-7-3-4-8-15(14)11-17(16)19/h3-4,7-8,10-11H,5-6,9H2,1-2H3
InChIKeyMFBQZIDOYKGFGY-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.87
Rot. Bonds4

About 5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one

5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one (PubChem CID 167583798) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one.

Molecular Properties

Compound Name5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one
PubChem CID167583798
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one
SMILESCC(=O)CCCn1c(C)nc2cc3ccccc3cc21
InChIInChI=1S/C17H18N2O/c1-12(20)6-5-9-19-13(2)18-16-10-14-7-3-4-8-15(14)11-17(16)19/h3-4,7-8,10-11H,5-6,9H2,1-2H3
InChIKeyMFBQZIDOYKGFGY-UHFFFAOYSA-N
XLogP3.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one
CID 167596718
4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid
CID 82150018
sodium 4-(2,5,6-trimethylbenzimidazol-1-yl)butanoate
CID 165382501
4-(5-methoxy-2-methylbenzimidazol-1-yl)butanoic acid
CID 83418426
7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one
CID 20586116
5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole
CID 91737844
4-(2-methylbenzimidazol-1-yl)butanethioamide
CID 24696929
2-methyl-3-pentylbenzimidazole-5-carboxylic acid
CID 82791290
N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide
CID 54965968
6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol
CID 107849624
3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid
CID 6494984
6-(2-methylbenzimidazol-1-yl)hexanal
CID 169157761

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one?
The IUPAC name of 5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one (CID 167583798) is 5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one.
What is the SMILES notation for 5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one?
The canonical SMILES for 5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one is CC(=O)CCCn1c(C)nc2cc3ccccc3cc21.
What is the InChIKey of 5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one?
The InChIKey is MFBQZIDOYKGFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(20)6-5-9-19-13(2)18-16-10-14-7-3-4-8-15(14)11-17(16)19/h3-4,7-8,10-11H,5-6,9H2,1-2H3.
What are the key properties of 5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one?
5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one is sourced from PubChem (CID 167583798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).