6-bromo-2-(2-methylphenyl)-1H-benzimidazole

C14H11BrN2 — CID 64723328

IUPAC6-bromo-2-(2-methylphenyl)-1H-benzimidazole
SMILESCc1ccccc1-c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C14H11BrN2/c1-9-4-2-3-5-11(9)14-16-12-7-6-10(15)8-13(12)17-14/h2-8H,1H3,(H,16,17)
InChIKeyWECMTUSNVCGLCS-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.30
Rot. Bonds1

About 6-bromo-2-(2-methylphenyl)-1H-benzimidazole

6-bromo-2-(2-methylphenyl)-1H-benzimidazole (PubChem CID 64723328) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 6-bromo-2-(2-methylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-methylphenyl)-1H-benzimidazole
PubChem CID64723328
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name6-bromo-2-(2-methylphenyl)-1H-benzimidazole
SMILESCc1ccccc1-c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C14H11BrN2/c1-9-4-2-3-5-11(9)14-16-12-7-6-10(15)8-13(12)17-14/h2-8H,1H3,(H,16,17)
InChIKeyWECMTUSNVCGLCS-UHFFFAOYSA-N
XLogP4.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 64723329
6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 64723542
2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol
CID 81432484
2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole
CID 64724742
2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine
CID 43629943
6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939488
2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine
CID 104547190
2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 63399315
[2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004404
6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 81454880
6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
CID 66841439
6-bromo-2-(3-bromophenyl)-1H-benzimidazole
CID 64722123

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-methylphenyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(2-methylphenyl)-1H-benzimidazole (CID 64723328) is 6-bromo-2-(2-methylphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(2-methylphenyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(2-methylphenyl)-1H-benzimidazole is Cc1ccccc1-c1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-(2-methylphenyl)-1H-benzimidazole?
The InChIKey is WECMTUSNVCGLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c1-9-4-2-3-5-11(9)14-16-12-7-6-10(15)8-13(12)17-14/h2-8H,1H3,(H,16,17).
What are the key properties of 6-bromo-2-(2-methylphenyl)-1H-benzimidazole?
6-bromo-2-(2-methylphenyl)-1H-benzimidazole has a molecular weight of 287.16 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-methylphenyl)-1H-benzimidazole is sourced from PubChem (CID 64723328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).