2-(4-aminophenyl)-3H-benzimidazol-5-amine

C13H12N4 — CID 24260

IUPAC2-(4-aminophenyl)-3H-benzimidazol-5-amine
SMILESNc1ccc(-c2nc3ccc(N)cc3[nH]2)cc1
InChIInChI=1S/C13H12N4/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2,(H,16,17)
InChIKeyXAFOTXWPFVZQAZ-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.39
Rot. Bonds1

About 2-(4-aminophenyl)-3H-benzimidazol-5-amine

2-(4-aminophenyl)-3H-benzimidazol-5-amine (PubChem CID 24260) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-(4-aminophenyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(4-aminophenyl)-3H-benzimidazol-5-amine
PubChem CID24260
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-(4-aminophenyl)-3H-benzimidazol-5-amine
SMILESNc1ccc(-c2nc3ccc(N)cc3[nH]2)cc1
InChIInChI=1S/C13H12N4/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2,(H,16,17)
InChIKeyXAFOTXWPFVZQAZ-UHFFFAOYSA-N
XLogP2.39
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(4-aminophenyl)-3H-benzimidazol-5-amine (CID 24260) is 2-(4-aminophenyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(4-aminophenyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(4-aminophenyl)-3H-benzimidazol-5-amine is Nc1ccc(-c2nc3ccc(N)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-3H-benzimidazol-5-amine?
The InChIKey is XAFOTXWPFVZQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2,(H,16,17).
What are the key properties of 2-(4-aminophenyl)-3H-benzimidazol-5-amine?
2-(4-aminophenyl)-3H-benzimidazol-5-amine has a molecular weight of 224.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 24260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).