2-(1-methylimidazol-4-yl)-1H-benzimidazole

C11H10N4 — CID 45078360

IUPAC2-(1-methylimidazol-4-yl)-1H-benzimidazole
SMILESCn1cnc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C11H10N4/c1-15-6-10(12-7-15)11-13-8-4-2-3-5-9(8)14-11/h2-7H,1H3,(H,13,14)
InChIKeyKHNYELYIMLZHNT-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.96
Rot. Bonds1

About 2-(1-methylimidazol-4-yl)-1H-benzimidazole

2-(1-methylimidazol-4-yl)-1H-benzimidazole (PubChem CID 45078360) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-(1-methylimidazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-methylimidazol-4-yl)-1H-benzimidazole
PubChem CID45078360
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name2-(1-methylimidazol-4-yl)-1H-benzimidazole
SMILESCn1cnc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C11H10N4/c1-15-6-10(12-7-15)11-13-8-4-2-3-5-9(8)14-11/h2-7H,1H3,(H,13,14)
InChIKeyKHNYELYIMLZHNT-UHFFFAOYSA-N
XLogP1.96
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-methylimidazol-4-yl)-1H-benzimidazole 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

2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine
CID 107495752
5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine
CID 107972982
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529
2-(1H-benzimidazol-2-yl)quinoline
CID 646533
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
2-(1-methylimidazol-2-yl)-1H-benzimidazole
CID 20807349
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
copper;palladium;2-pyridin-2-yl-1H-benzimidazole
CID 174748574
2-(1H-benzimidazol-2-yl)pyridin-4-amine
CID 28811886
2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 68602182
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride
CID 139238299

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-4-yl)-1H-benzimidazole?
The IUPAC name of 2-(1-methylimidazol-4-yl)-1H-benzimidazole (CID 45078360) is 2-(1-methylimidazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1-methylimidazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1-methylimidazol-4-yl)-1H-benzimidazole is Cn1cnc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(1-methylimidazol-4-yl)-1H-benzimidazole?
The InChIKey is KHNYELYIMLZHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-15-6-10(12-7-15)11-13-8-4-2-3-5-9(8)14-11/h2-7H,1H3,(H,13,14).
What are the key properties of 2-(1-methylimidazol-4-yl)-1H-benzimidazole?
2-(1-methylimidazol-4-yl)-1H-benzimidazole has a molecular weight of 198.23 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 45078360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).