2-bromo-6-methyl-1H-benzimidazole

C8H7BrN2 — CID 18967090

IUPAC2-bromo-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(Br)[nH]c2c1
InChIInChI=1S/C8H7BrN2/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H,10,11)
InChIKeyJKSVPXYIGJVCNA-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.63
Rot. Bonds

About 2-bromo-6-methyl-1H-benzimidazole

2-bromo-6-methyl-1H-benzimidazole (PubChem CID 18967090) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 2-bromo-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-bromo-6-methyl-1H-benzimidazole
PubChem CID18967090
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name2-bromo-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(Br)[nH]c2c1
InChIInChI=1S/C8H7BrN2/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H,10,11)
InChIKeyJKSVPXYIGJVCNA-UHFFFAOYSA-N
XLogP2.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-6-methyl-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

6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
2-bromo-6-phenyl-1H-benzimidazole
CID 97036463
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 62958312
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 63112795
2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole
CID 91673788
2-bromo-3H-benzimidazole-5-carboxamide
CID 130960891
2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole
CID 162444244
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methyl-1H-benzimidazole?
The IUPAC name of 2-bromo-6-methyl-1H-benzimidazole (CID 18967090) is 2-bromo-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-bromo-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-bromo-6-methyl-1H-benzimidazole is Cc1ccc2nc(Br)[nH]c2c1.
What is the InChIKey of 2-bromo-6-methyl-1H-benzimidazole?
The InChIKey is JKSVPXYIGJVCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H,10,11).
What are the key properties of 2-bromo-6-methyl-1H-benzimidazole?
2-bromo-6-methyl-1H-benzimidazole has a molecular weight of 211.06 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methyl-1H-benzimidazole is sourced from PubChem (CID 18967090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).