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

C14H9IN4 — CID 104714764

IUPAC2-amino-3-(3-iodophenyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(-c3cccc(I)c3)c2c1
InChIInChI=1S/C14H9IN4/c15-10-2-1-3-11(7-10)19-13-6-9(8-16)4-5-12(13)18-14(19)17/h1-7H,(H2,17,18)
InChIKeyQJWCDXFTOWOSNF-UHFFFAOYSA-N
MW360.16 g/mol
LogP3.08
Rot. Bonds1

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

2-amino-3-(3-iodophenyl)benzimidazole-5-carbonitrile (PubChem CID 104714764) has the molecular formula C14H9IN4 and a molecular weight of 360.16 g/mol. Its IUPAC name is 2-amino-3-(3-iodophenyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(3-iodophenyl)benzimidazole-5-carbonitrile
PubChem CID104714764
Molecular FormulaC14H9IN4
Molecular Weight360.16 g/mol
Exact Mass359.99
IUPAC Name2-amino-3-(3-iodophenyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(-c3cccc(I)c3)c2c1
InChIInChI=1S/C14H9IN4/c15-10-2-1-3-11(7-10)19-13-6-9(8-16)4-5-12(13)18-14(19)17/h1-7H,(H2,17,18)
InChIKeyQJWCDXFTOWOSNF-UHFFFAOYSA-N
XLogP3.08
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.16
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-3-(3-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-(3-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714790
2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile
CID 107809125
2-amino-3-[4-(cyanomethyl)phenyl]benzimidazole-5-carbonitrile
CID 104714998
2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714818
2-amino-3-(4-ethoxyphenyl)benzimidazole-5-carbonitrile
CID 104714758
2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile
CID 104715125
2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
CID 104715108
2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714757
3-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 81138921
2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile
CID 118938390
5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 66081189
2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile
CID 104714819

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-iodophenyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-(3-iodophenyl)benzimidazole-5-carbonitrile (CID 104714764) is 2-amino-3-(3-iodophenyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-(3-iodophenyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-(3-iodophenyl)benzimidazole-5-carbonitrile is N#Cc1ccc2nc(N)n(-c3cccc(I)c3)c2c1.
What is the InChIKey of 2-amino-3-(3-iodophenyl)benzimidazole-5-carbonitrile?
The InChIKey is QJWCDXFTOWOSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN4/c15-10-2-1-3-11(7-10)19-13-6-9(8-16)4-5-12(13)18-14(19)17/h1-7H,(H2,17,18).
What are the key properties of 2-amino-3-(3-iodophenyl)benzimidazole-5-carbonitrile?
2-amino-3-(3-iodophenyl)benzimidazole-5-carbonitrile has a molecular weight of 360.16 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-iodophenyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 104714764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).