2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile

C14H8FIN4 — CID 104715125

IUPAC2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(-c3ccc(F)cc3I)c2c1
InChIInChI=1S/C14H8FIN4/c15-9-2-4-12(10(16)6-9)20-13-5-8(7-17)1-3-11(13)19-14(20)18/h1-6H,(H2,18,19)
InChIKeyFUXHLBIJXZPFDR-UHFFFAOYSA-N
MW378.15 g/mol
LogP3.22
Rot. Bonds1

About 2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile

2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile (PubChem CID 104715125) has the molecular formula C14H8FIN4 and a molecular weight of 378.15 g/mol. Its IUPAC name is 2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile
PubChem CID104715125
Molecular FormulaC14H8FIN4
Molecular Weight378.15 g/mol
Exact Mass377.98
IUPAC Name2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(-c3ccc(F)cc3I)c2c1
InChIInChI=1S/C14H8FIN4/c15-9-2-4-12(10(16)6-9)20-13-5-8(7-17)1-3-11(13)19-14(20)18/h1-6H,(H2,18,19)
InChIKeyFUXHLBIJXZPFDR-UHFFFAOYSA-N
XLogP3.22
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.15
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-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-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714937
2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile
CID 107809125
2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile
CID 118938390
2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
CID 104715108
2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile
CID 82016569
2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile
CID 104714844
1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine
CID 79766676
5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine
CID 79766831
5-fluoro-1-(4-fluoro-2-iodophenyl)-6-methoxybenzimidazol-2-amine
CID 79761482
2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714757
2-amino-3-(3-iodophenyl)benzimidazole-5-carbonitrile
CID 104714764
4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile
CID 107809094

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile (CID 104715125) is 2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile is N#Cc1ccc2nc(N)n(-c3ccc(F)cc3I)c2c1.
What is the InChIKey of 2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile?
The InChIKey is FUXHLBIJXZPFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FIN4/c15-9-2-4-12(10(16)6-9)20-13-5-8(7-17)1-3-11(13)19-14(20)18/h1-6H,(H2,18,19).
What are the key properties of 2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile?
2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile has a molecular weight of 378.15 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 104715125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).