6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole

C12H12N4 — CID 103511214

IUPAC6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
SMILESCc1ccc2nc(-c3cncn3C)[nH]c2c1
InChIInChI=1S/C12H12N4/c1-8-3-4-9-10(5-8)15-12(14-9)11-6-13-7-16(11)2/h3-7H,1-2H3,(H,14,15)
InChIKeyZMUFDKAZYHZKJV-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.27
Rot. Bonds1

About 6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole

6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole (PubChem CID 103511214) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
PubChem CID103511214
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
SMILESCc1ccc2nc(-c3cncn3C)[nH]c2c1
InChIInChI=1S/C12H12N4/c1-8-3-4-9-10(5-8)15-12(14-9)11-6-13-7-16(11)2/h3-7H,1-2H3,(H,14,15)
InChIKeyZMUFDKAZYHZKJV-UHFFFAOYSA-N
XLogP2.27
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole?
The IUPAC name of 6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole (CID 103511214) is 6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole is Cc1ccc2nc(-c3cncn3C)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole?
The InChIKey is ZMUFDKAZYHZKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-8-3-4-9-10(5-8)15-12(14-9)11-6-13-7-16(11)2/h3-7H,1-2H3,(H,14,15).
What are the key properties of 6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole?
6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole has a molecular weight of 212.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 103511214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).