2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile

C9H6BrN3 — CID 130052815

IUPAC2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile
SMILESCc1cc(C#N)c2nc(Br)[nH]c2c1
InChIInChI=1S/C9H6BrN3/c1-5-2-6(4-11)8-7(3-5)12-9(10)13-8/h2-3H,1H3,(H,12,13)
InChIKeyJFEFTLBMMFDHAK-UHFFFAOYSA-N
MW236.07 g/mol
LogP2.51
Rot. Bonds

About 2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile

2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile (PubChem CID 130052815) has the molecular formula C9H6BrN3 and a molecular weight of 236.07 g/mol. Its IUPAC name is 2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile
PubChem CID130052815
Molecular FormulaC9H6BrN3
Molecular Weight236.07 g/mol
Exact Mass234.97
IUPAC Name2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile
SMILESCc1cc(C#N)c2nc(Br)[nH]c2c1
InChIInChI=1S/C9H6BrN3/c1-5-2-6(4-11)8-7(3-5)12-9(10)13-8/h2-3H,1H3,(H,12,13)
InChIKeyJFEFTLBMMFDHAK-UHFFFAOYSA-N
XLogP2.51
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-1H-benzimidazole-4-carbonitrile
CID 131119039
2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile
CID 131296252
6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile
CID 130983027
2,4,6-trimethylquinoline-8-carbonitrile
CID 82573229
2-bromo-6-methyl-1H-benzimidazole
CID 18967090
2-bromo-6-methylpyridine-3,5-dicarbonitrile
CID 12535770
2,4,6-tribromo-1H-benzimidazole
CID 130864001
2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720674
2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile
CID 130781560
(4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine
CID 84629932
2-bromo-5-methylbenzonitrile
CID 12557201
7-methyl-2-oxo-4-sulfanylidene-1H-quinazoline-5-carbonitrile
CID 170981622

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile (CID 130052815) is 2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile is Cc1cc(C#N)c2nc(Br)[nH]c2c1.
What is the InChIKey of 2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile?
The InChIKey is JFEFTLBMMFDHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3/c1-5-2-6(4-11)8-7(3-5)12-9(10)13-8/h2-3H,1H3,(H,12,13).
What are the key properties of 2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile?
2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile has a molecular weight of 236.07 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 130052815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).