4-(6-amino-1H-benzimidazol-2-yl)benzonitrile

C14H10N4 — CID 19921448

IUPAC4-(6-amino-1H-benzimidazol-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2nc3ccc(N)cc3[nH]2)cc1
InChIInChI=1S/C14H10N4/c15-8-9-1-3-10(4-2-9)14-17-12-6-5-11(16)7-13(12)18-14/h1-7H,16H2,(H,17,18)
InChIKeyIAZNSWPJYJMSHK-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.68
Rot. Bonds1

About 4-(6-amino-1H-benzimidazol-2-yl)benzonitrile

4-(6-amino-1H-benzimidazol-2-yl)benzonitrile (PubChem CID 19921448) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-(6-amino-1H-benzimidazol-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(6-amino-1H-benzimidazol-2-yl)benzonitrile
PubChem CID19921448
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name4-(6-amino-1H-benzimidazol-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2nc3ccc(N)cc3[nH]2)cc1
InChIInChI=1S/C14H10N4/c15-8-9-1-3-10(4-2-9)14-17-12-6-5-11(16)7-13(12)18-14/h1-7H,16H2,(H,17,18)
InChIKeyIAZNSWPJYJMSHK-UHFFFAOYSA-N
XLogP2.68
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(6-amino-1H-benzimidazol-2-yl)benzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-1H-benzimidazol-2-yl)benzonitrile?
The IUPAC name of 4-(6-amino-1H-benzimidazol-2-yl)benzonitrile (CID 19921448) is 4-(6-amino-1H-benzimidazol-2-yl)benzonitrile.
What is the SMILES notation for 4-(6-amino-1H-benzimidazol-2-yl)benzonitrile?
The canonical SMILES for 4-(6-amino-1H-benzimidazol-2-yl)benzonitrile is N#Cc1ccc(-c2nc3ccc(N)cc3[nH]2)cc1.
What is the InChIKey of 4-(6-amino-1H-benzimidazol-2-yl)benzonitrile?
The InChIKey is IAZNSWPJYJMSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-8-9-1-3-10(4-2-9)14-17-12-6-5-11(16)7-13(12)18-14/h1-7H,16H2,(H,17,18).
What are the key properties of 4-(6-amino-1H-benzimidazol-2-yl)benzonitrile?
4-(6-amino-1H-benzimidazol-2-yl)benzonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-1H-benzimidazol-2-yl)benzonitrile is sourced from PubChem (CID 19921448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).