2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile

C15H8BrN5 — CID 107791660

IUPAC2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile
SMILESN#Cc1ccc(-n2c(N)nc3c(C#N)cccc32)c(Br)c1
InChIInChI=1S/C15H8BrN5/c16-11-6-9(7-17)4-5-12(11)21-13-3-1-2-10(8-18)14(13)20-15(21)19/h1-6H,(H2,19,20)
InChIKeyHXPLGEQWAQOMKS-UHFFFAOYSA-N
MW338.17 g/mol
LogP3.11
Rot. Bonds1

About 2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile

2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile (PubChem CID 107791660) has the molecular formula C15H8BrN5 and a molecular weight of 338.17 g/mol. Its IUPAC name is 2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile
PubChem CID107791660
Molecular FormulaC15H8BrN5
Molecular Weight338.17 g/mol
Exact Mass337.00
IUPAC Name2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile
SMILESN#Cc1ccc(-n2c(N)nc3c(C#N)cccc32)c(Br)c1
InChIInChI=1S/C15H8BrN5/c16-11-6-9(7-17)4-5-12(11)21-13-3-1-2-10(8-18)14(13)20-15(21)19/h1-6H,(H2,19,20)
InChIKeyHXPLGEQWAQOMKS-UHFFFAOYSA-N
XLogP3.11
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile
CID 107791668
2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile
CID 107791599
2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile
CID 104719103
4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile
CID 107791691
2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
CID 107593043
2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile
CID 104718729
2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile
CID 104718715
2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile
CID 104718701
2-amino-1-(2-cyano-3-fluorophenyl)benzimidazole-4-carbonitrile
CID 104718770
2-amino-1-(5-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
CID 104718706
2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile
CID 104718691
2-amino-1-(3-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile
CID 104718938

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile (CID 107791660) is 2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile is N#Cc1ccc(-n2c(N)nc3c(C#N)cccc32)c(Br)c1.
What is the InChIKey of 2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile?
The InChIKey is HXPLGEQWAQOMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrN5/c16-11-6-9(7-17)4-5-12(11)21-13-3-1-2-10(8-18)14(13)20-15(21)19/h1-6H,(H2,19,20).
What are the key properties of 2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile?
2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile has a molecular weight of 338.17 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 107791660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).