4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile

C14H8BrClN4 — CID 107791668

IUPAC4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile
SMILESN#Cc1ccc(-n2c(N)nc3c(Cl)cccc32)c(Br)c1
InChIInChI=1S/C14H8BrClN4/c15-9-6-8(7-17)4-5-11(9)20-12-3-1-2-10(16)13(12)19-14(20)18/h1-6H,(H2,18,19)
InChIKeyACKCJBBKVPIRGP-UHFFFAOYSA-N
MW347.60 g/mol
LogP3.90
Rot. Bonds1

About 4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile

4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile (PubChem CID 107791668) has the molecular formula C14H8BrClN4 and a molecular weight of 347.60 g/mol. Its IUPAC name is 4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile.

Molecular Properties

Compound Name4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile
PubChem CID107791668
Molecular FormulaC14H8BrClN4
Molecular Weight347.60 g/mol
Exact Mass345.96
IUPAC Name4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile
SMILESN#Cc1ccc(-n2c(N)nc3c(Cl)cccc32)c(Br)c1
InChIInChI=1S/C14H8BrClN4/c15-9-6-8(7-17)4-5-11(9)20-12-3-1-2-10(16)13(12)19-14(20)18/h1-6H,(H2,18,19)
InChIKeyACKCJBBKVPIRGP-UHFFFAOYSA-N
XLogP3.90
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.60
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile
CID 107791660
4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile
CID 107791691
4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine
CID 104836871
4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile
CID 107809094
2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile
CID 107791599
2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile
CID 107809125
4-chloro-1-(2,5-dichlorophenyl)benzimidazol-2-amine
CID 104836825
1-(4-bromophenyl)-4-chlorobenzimidazol-2-amine
CID 113459008
4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile
CID 107791678
4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184
4-chloro-1-(3-methylphenyl)benzimidazol-2-amine
CID 104836856
4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine
CID 104836818

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile?
The IUPAC name of 4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile (CID 107791668) is 4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile.
What is the SMILES notation for 4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile?
The canonical SMILES for 4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile is N#Cc1ccc(-n2c(N)nc3c(Cl)cccc32)c(Br)c1.
What is the InChIKey of 4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile?
The InChIKey is ACKCJBBKVPIRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN4/c15-9-6-8(7-17)4-5-11(9)20-12-3-1-2-10(16)13(12)19-14(20)18/h1-6H,(H2,18,19).
What are the key properties of 4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile?
4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile has a molecular weight of 347.60 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile is sourced from PubChem (CID 107791668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).