2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile

C9H5BrClN3 — CID 130781560

IUPAC2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile
SMILESN#CCc1cc(Cl)cc2[nH]c(Br)nc12
InChIInChI=1S/C9H5BrClN3/c10-9-13-7-4-6(11)3-5(1-2-12)8(7)14-9/h3-4H,1H2,(H,13,14)
InChIKeyAAVDMRZDTAFUNB-UHFFFAOYSA-N
MW270.52 g/mol
LogP3.04
Rot. Bonds1

About 2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile

2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile (PubChem CID 130781560) has the molecular formula C9H5BrClN3 and a molecular weight of 270.52 g/mol. Its IUPAC name is 2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile
PubChem CID130781560
Molecular FormulaC9H5BrClN3
Molecular Weight270.52 g/mol
Exact Mass268.94
IUPAC Name2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile
SMILESN#CCc1cc(Cl)cc2[nH]c(Br)nc12
InChIInChI=1S/C9H5BrClN3/c10-9-13-7-4-6(11)3-5(1-2-12)8(7)14-9/h3-4H,1H2,(H,13,14)
InChIKeyAAVDMRZDTAFUNB-UHFFFAOYSA-N
XLogP3.04
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-chloro-4-fluoro-1H-benzimidazole
CID 130895995
2-(2-amino-6-bromo-1H-benzimidazol-4-yl)acetonitrile
CID 130865843
2-(2,3-dibromo-5-chlorophenyl)acetonitrile
CID 171009483
2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile
CID 130047648
2,6-dibromo-1H-benzimidazole-4-carbonitrile
CID 131119039
2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile
CID 55266700
2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile
CID 130052815
6-chloro-2-methyl-4-propyl-1H-benzimidazole
CID 173254134
2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic acid
CID 131501525
4-bromo-6-chloro-2-phenyl-1H-benzimidazole
CID 53438662
2-[3-(4-bromo-2-chlorophenyl)-5-chloro-2,1-benzoxazol-7-yl]acetonitrile
CID 19867746
2,4,6-tribromo-1H-benzimidazole
CID 130864001

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile?
The IUPAC name of 2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile (CID 130781560) is 2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile?
The canonical SMILES for 2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile is N#CCc1cc(Cl)cc2[nH]c(Br)nc12.
What is the InChIKey of 2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile?
The InChIKey is AAVDMRZDTAFUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN3/c10-9-13-7-4-6(11)3-5(1-2-12)8(7)14-9/h3-4H,1H2,(H,13,14).
What are the key properties of 2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile?
2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile has a molecular weight of 270.52 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile is sourced from PubChem (CID 130781560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).