2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile

C14H7BrCl2N4 — CID 107791599

IUPAC2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2c1nc(N)n2-c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C14H7BrCl2N4/c15-8-4-5-9(12(17)11(8)16)21-10-3-1-2-7(6-18)13(10)20-14(21)19/h1-5H,(H2,19,20)
InChIKeyJAZRMUDVVUQYJC-UHFFFAOYSA-N
MW382.05 g/mol
LogP4.55
Rot. Bonds1

About 2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile

2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile (PubChem CID 107791599) has the molecular formula C14H7BrCl2N4 and a molecular weight of 382.05 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile
PubChem CID107791599
Molecular FormulaC14H7BrCl2N4
Molecular Weight382.05 g/mol
Exact Mass379.92
IUPAC Name2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2c1nc(N)n2-c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C14H7BrCl2N4/c15-8-4-5-9(12(17)11(8)16)21-10-3-1-2-7(6-18)13(10)20-14(21)19/h1-5H,(H2,19,20)
InChIKeyJAZRMUDVVUQYJC-UHFFFAOYSA-N
XLogP4.55
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.05
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile
CID 107791660
2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile
CID 104718729
2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile
CID 104719103
2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile
CID 104719050
2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
CID 107593043
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
4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile
CID 107791668
1-(4-bromo-2,3-dichlorophenyl)-2-sulfanylidene-3H-benzimidazole-4-carbonitrile
CID 107791503
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-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile (CID 107791599) is 2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile is N#Cc1cccc2c1nc(N)n2-c1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile?
The InChIKey is JAZRMUDVVUQYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2N4/c15-8-4-5-9(12(17)11(8)16)21-10-3-1-2-7(6-18)13(10)20-14(21)19/h1-5H,(H2,19,20).
What are the key properties of 2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile?
2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile has a molecular weight of 382.05 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 107791599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).