2,6-dibromo-1H-benzimidazole-4-carbonitrile

C8H3Br2N3 — CID 131119039

IUPAC2,6-dibromo-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cc(Br)cc2[nH]c(Br)nc12
InChIInChI=1S/C8H3Br2N3/c9-5-1-4(3-11)7-6(2-5)12-8(10)13-7/h1-2H,(H,12,13)
InChIKeyKHOYQOZOQJFJAT-UHFFFAOYSA-N
MW300.94 g/mol
LogP2.96
Rot. Bonds

About 2,6-dibromo-1H-benzimidazole-4-carbonitrile

2,6-dibromo-1H-benzimidazole-4-carbonitrile (PubChem CID 131119039) has the molecular formula C8H3Br2N3 and a molecular weight of 300.94 g/mol. Its IUPAC name is 2,6-dibromo-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2,6-dibromo-1H-benzimidazole-4-carbonitrile
PubChem CID131119039
Molecular FormulaC8H3Br2N3
Molecular Weight300.94 g/mol
Exact Mass298.87
IUPAC Name2,6-dibromo-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cc(Br)cc2[nH]c(Br)nc12
InChIInChI=1S/C8H3Br2N3/c9-5-1-4(3-11)7-6(2-5)12-8(10)13-7/h1-2H,(H,12,13)
InChIKeyKHOYQOZOQJFJAT-UHFFFAOYSA-N
XLogP2.96
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.94
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile
CID 130052815
6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile
CID 130983027
2,4,6-tribromo-1H-benzimidazole
CID 130864001
2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile
CID 131296252
2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile
CID 130781560
2-(2-amino-6-bromo-1H-benzimidazol-4-yl)acetonitrile
CID 130865843
2-bromo-6-chloro-4-fluoro-1H-benzimidazole
CID 130895995
5-bromo-7-cyano-1H-indole-2-carboxylic acid
CID 125458482
naphthalene-2,3,6,7-tetracarbonitrile
CID 66972136
2-[(3-bromophenyl)methyl]-1H-benzimidazole-4-carbonitrile
CID 104720693
2-(6-bromo-1H-indol-2-yl)benzonitrile
CID 155670182
5-amino-6-bromo-4-methyl-1H-benzimidazole-2-carbonitrile
CID 18400128

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2,6-dibromo-1H-benzimidazole-4-carbonitrile (CID 131119039) is 2,6-dibromo-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2,6-dibromo-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2,6-dibromo-1H-benzimidazole-4-carbonitrile is N#Cc1cc(Br)cc2[nH]c(Br)nc12.
What is the InChIKey of 2,6-dibromo-1H-benzimidazole-4-carbonitrile?
The InChIKey is KHOYQOZOQJFJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2N3/c9-5-1-4(3-11)7-6(2-5)12-8(10)13-7/h1-2H,(H,12,13).
What are the key properties of 2,6-dibromo-1H-benzimidazole-4-carbonitrile?
2,6-dibromo-1H-benzimidazole-4-carbonitrile has a molecular weight of 300.94 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 131119039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).