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

C8H3BrClN3 — CID 130983027

IUPAC6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cc(Br)cc2[nH]c(Cl)nc12
InChIInChI=1S/C8H3BrClN3/c9-5-1-4(3-11)7-6(2-5)12-8(10)13-7/h1-2H,(H,12,13)
InChIKeyQWAFWKVUUVNLOS-UHFFFAOYSA-N
MW256.49 g/mol
LogP2.85
Rot. Bonds

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

6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile (PubChem CID 130983027) has the molecular formula C8H3BrClN3 and a molecular weight of 256.49 g/mol. Its IUPAC name is 6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile
PubChem CID130983027
Molecular FormulaC8H3BrClN3
Molecular Weight256.49 g/mol
Exact Mass254.92
IUPAC Name6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cc(Br)cc2[nH]c(Cl)nc12
InChIInChI=1S/C8H3BrClN3/c9-5-1-4(3-11)7-6(2-5)12-8(10)13-7/h1-2H,(H,12,13)
InChIKeyQWAFWKVUUVNLOS-UHFFFAOYSA-N
XLogP2.85
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-1H-benzimidazole-4-carbonitrile
CID 131119039
7-bromo-2-chloro-3H-benzimidazole-4-carbonitrile
CID 130779161
2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile
CID 130052815
2,6-dichloro-1H-benzimidazole-5-carbonitrile
CID 130051786
4-bromo-2-chloro-6-(difluoromethyl)-1H-benzimidazole
CID 130968745
2-(2-amino-6-bromo-1H-benzimidazol-4-yl)acetonitrile
CID 130865843
7-bromo-2-chloroquinoline-5-carbonitrile
CID 165134565
6-bromo-4-chloro-2-(trichloromethyl)-1H-benzimidazole
CID 177022096
5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carbonitrile
CID 70550152
6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole
CID 91686337
2,4,6-tribromo-1H-benzimidazole
CID 130864001
6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one
CID 167343616

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile (CID 130983027) is 6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile is N#Cc1cc(Br)cc2[nH]c(Cl)nc12.
What is the InChIKey of 6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile?
The InChIKey is QWAFWKVUUVNLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClN3/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 6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile?
6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile has a molecular weight of 256.49 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 130983027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).