2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole

C16H14N4 — CID 831344

IUPAC2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole
SMILESCc1nc2ccc(-c3ccc4nc(C)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C16H14N4/c1-9-17-13-5-3-11(7-15(13)19-9)12-4-6-14-16(8-12)20-10(2)18-14/h3-8H,1-2H3,(H,17,19)(H,18,20)
InChIKeyQLFKSDSHYQVWNH-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.72
Rot. Bonds1

About 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole

2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole (PubChem CID 831344) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole
PubChem CID831344
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole
SMILESCc1nc2ccc(-c3ccc4nc(C)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C16H14N4/c1-9-17-13-5-3-11(7-15(13)19-9)12-4-6-14-16(8-12)20-10(2)18-14/h3-8H,1-2H3,(H,17,19)(H,18,20)
InChIKeyQLFKSDSHYQVWNH-UHFFFAOYSA-N
XLogP3.72
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-6-(2-methyl-3H-benzimidazol-5-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole?
The IUPAC name of 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole (CID 831344) is 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole.
What is the SMILES notation for 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole?
The canonical SMILES for 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole is Cc1nc2ccc(-c3ccc4nc(C)[nH]c4c3)cc2[nH]1.
What is the InChIKey of 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole?
The InChIKey is QLFKSDSHYQVWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-9-17-13-5-3-11(7-15(13)19-9)12-4-6-14-16(8-12)20-10(2)18-14/h3-8H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole?
2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole has a molecular weight of 262.32 g/mol, XLogP of 3.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole is sourced from PubChem (CID 831344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).