1-methyl-2-(5-methylfuran-2-yl)benzimidazole

C13H12N2O — CID 806167

IUPAC1-methyl-2-(5-methylfuran-2-yl)benzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2C)o1
InChIInChI=1S/C13H12N2O/c1-9-7-8-12(16-9)13-14-10-5-3-4-6-11(10)15(13)2/h3-8H,1-2H3
InChIKeyMBTPAVDRBHQQTE-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.14
Rot. Bonds1

About 1-methyl-2-(5-methylfuran-2-yl)benzimidazole

1-methyl-2-(5-methylfuran-2-yl)benzimidazole (PubChem CID 806167) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-methyl-2-(5-methylfuran-2-yl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-(5-methylfuran-2-yl)benzimidazole
PubChem CID806167
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name1-methyl-2-(5-methylfuran-2-yl)benzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2C)o1
InChIInChI=1S/C13H12N2O/c1-9-7-8-12(16-9)13-14-10-5-3-4-6-11(10)15(13)2/h3-8H,1-2H3
InChIKeyMBTPAVDRBHQQTE-UHFFFAOYSA-N
XLogP3.14
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-2-(5-methylfuran-2-yl)benzimidazole 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 1-methyl-2-(5-methylfuran-2-yl)benzimidazole?
The IUPAC name of 1-methyl-2-(5-methylfuran-2-yl)benzimidazole (CID 806167) is 1-methyl-2-(5-methylfuran-2-yl)benzimidazole.
What is the SMILES notation for 1-methyl-2-(5-methylfuran-2-yl)benzimidazole?
The canonical SMILES for 1-methyl-2-(5-methylfuran-2-yl)benzimidazole is Cc1ccc(-c2nc3ccccc3n2C)o1.
What is the InChIKey of 1-methyl-2-(5-methylfuran-2-yl)benzimidazole?
The InChIKey is MBTPAVDRBHQQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-9-7-8-12(16-9)13-14-10-5-3-4-6-11(10)15(13)2/h3-8H,1-2H3.
What are the key properties of 1-methyl-2-(5-methylfuran-2-yl)benzimidazole?
1-methyl-2-(5-methylfuran-2-yl)benzimidazole has a molecular weight of 212.25 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(5-methylfuran-2-yl)benzimidazole is sourced from PubChem (CID 806167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).