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

C9H7BrN4 — CID 130865843

IUPAC2-(2-amino-6-bromo-1H-benzimidazol-4-yl)acetonitrile
SMILESN#CCc1cc(Br)cc2[nH]c(N)nc12
InChIInChI=1S/C9H7BrN4/c10-6-3-5(1-2-11)8-7(4-6)13-9(12)14-8/h3-4H,1H2,(H3,12,13,14)
InChIKeyCKSWFZQOCGAKFY-UHFFFAOYSA-N
MW251.09 g/mol
LogP1.97
Rot. Bonds1

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

2-(2-amino-6-bromo-1H-benzimidazol-4-yl)acetonitrile (PubChem CID 130865843) has the molecular formula C9H7BrN4 and a molecular weight of 251.09 g/mol. Its IUPAC name is 2-(2-amino-6-bromo-1H-benzimidazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-amino-6-bromo-1H-benzimidazol-4-yl)acetonitrile
PubChem CID130865843
Molecular FormulaC9H7BrN4
Molecular Weight251.09 g/mol
Exact Mass249.99
IUPAC Name2-(2-amino-6-bromo-1H-benzimidazol-4-yl)acetonitrile
SMILESN#CCc1cc(Br)cc2[nH]c(N)nc12
InChIInChI=1S/C9H7BrN4/c10-6-3-5(1-2-11)8-7(4-6)13-9(12)14-8/h3-4H,1H2,(H3,12,13,14)
InChIKeyCKSWFZQOCGAKFY-UHFFFAOYSA-N
XLogP1.97
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile
CID 130781560
2-(6-bromoquinolin-8-yl)acetonitrile
CID 54593004
2,6-dibromo-1H-benzimidazole-4-carbonitrile
CID 131119039
2-[2-amino-5-bromo-3-(trifluoromethyl)phenyl]acetonitrile
CID 131325377
2-amino-6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 87480995
6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile
CID 130983027
2-(5-bromo-2,3-difluorophenyl)acetonitrile
CID 84795160
2-(4-amino-2-bromo-5-methylphenyl)acetonitrile
CID 131271639
2-amino-4-bromo-5-(cyanomethyl)benzonitrile
CID 171012916
2-(5-bromo-3-fluoro-2-methylphenyl)acetonitrile
CID 131628335
2-(5-bromo-2-methyl-3-pyridinyl)acetonitrile
CID 130153910
2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetonitrile
CID 84793428

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-bromo-1H-benzimidazol-4-yl)acetonitrile?
The IUPAC name of 2-(2-amino-6-bromo-1H-benzimidazol-4-yl)acetonitrile (CID 130865843) is 2-(2-amino-6-bromo-1H-benzimidazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(2-amino-6-bromo-1H-benzimidazol-4-yl)acetonitrile?
The canonical SMILES for 2-(2-amino-6-bromo-1H-benzimidazol-4-yl)acetonitrile is N#CCc1cc(Br)cc2[nH]c(N)nc12.
What is the InChIKey of 2-(2-amino-6-bromo-1H-benzimidazol-4-yl)acetonitrile?
The InChIKey is CKSWFZQOCGAKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4/c10-6-3-5(1-2-11)8-7(4-6)13-9(12)14-8/h3-4H,1H2,(H3,12,13,14).
What are the key properties of 2-(2-amino-6-bromo-1H-benzimidazol-4-yl)acetonitrile?
2-(2-amino-6-bromo-1H-benzimidazol-4-yl)acetonitrile has a molecular weight of 251.09 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-bromo-1H-benzimidazol-4-yl)acetonitrile is sourced from PubChem (CID 130865843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).