2-(3-aminophenyl)benzimidazol-1-amine

C13H12N4 — CID 83430363

IUPAC2-(3-aminophenyl)benzimidazol-1-amine
SMILESNc1cccc(-c2nc3ccccc3n2N)c1
InChIInChI=1S/C13H12N4/c14-10-5-3-4-9(8-10)13-16-11-6-1-2-7-12(11)17(13)15/h1-8H,14-15H2
InChIKeyYBBMBKZBGWIVTP-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.00
Rot. Bonds1

About 2-(3-aminophenyl)benzimidazol-1-amine

2-(3-aminophenyl)benzimidazol-1-amine (PubChem CID 83430363) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-(3-aminophenyl)benzimidazol-1-amine.

Molecular Properties

Compound Name2-(3-aminophenyl)benzimidazol-1-amine
PubChem CID83430363
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-(3-aminophenyl)benzimidazol-1-amine
SMILESNc1cccc(-c2nc3ccccc3n2N)c1
InChIInChI=1S/C13H12N4/c14-10-5-3-4-9(8-10)13-16-11-6-1-2-7-12(11)17(13)15/h1-8H,14-15H2
InChIKeyYBBMBKZBGWIVTP-UHFFFAOYSA-N
XLogP2.00
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-aminophenyl)benzimidazol-1-amine?
The IUPAC name of 2-(3-aminophenyl)benzimidazol-1-amine (CID 83430363) is 2-(3-aminophenyl)benzimidazol-1-amine.
What is the SMILES notation for 2-(3-aminophenyl)benzimidazol-1-amine?
The canonical SMILES for 2-(3-aminophenyl)benzimidazol-1-amine is Nc1cccc(-c2nc3ccccc3n2N)c1.
What is the InChIKey of 2-(3-aminophenyl)benzimidazol-1-amine?
The InChIKey is YBBMBKZBGWIVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-10-5-3-4-9(8-10)13-16-11-6-1-2-7-12(11)17(13)15/h1-8H,14-15H2.
What are the key properties of 2-(3-aminophenyl)benzimidazol-1-amine?
2-(3-aminophenyl)benzimidazol-1-amine has a molecular weight of 224.27 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)benzimidazol-1-amine is sourced from PubChem (CID 83430363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).