4-(1H-imidazol-2-yl)benzene-1,2-diamine

C9H10N4 — CID 19101595

IUPAC4-(1H-imidazol-2-yl)benzene-1,2-diamine
SMILESNc1ccc(-c2ncc[nH]2)cc1N
InChIInChI=1S/C9H10N4/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-5H,10-11H2,(H,12,13)
InChIKeyJNAWJWDZPDGUCJ-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.24
Rot. Bonds1

About 4-(1H-imidazol-2-yl)benzene-1,2-diamine

4-(1H-imidazol-2-yl)benzene-1,2-diamine (PubChem CID 19101595) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)benzene-1,2-diamine
PubChem CID19101595
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name4-(1H-imidazol-2-yl)benzene-1,2-diamine
SMILESNc1ccc(-c2ncc[nH]2)cc1N
InChIInChI=1S/C9H10N4/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-5H,10-11H2,(H,12,13)
InChIKeyJNAWJWDZPDGUCJ-UHFFFAOYSA-N
XLogP1.24
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1H-imidazol-2-yl)benzene-1,2-diamine 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-(1H-imidazol-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-(1H-imidazol-2-yl)benzene-1,2-diamine (CID 19101595) is 4-(1H-imidazol-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-(1H-imidazol-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-(1H-imidazol-2-yl)benzene-1,2-diamine is Nc1ccc(-c2ncc[nH]2)cc1N.
What is the InChIKey of 4-(1H-imidazol-2-yl)benzene-1,2-diamine?
The InChIKey is JNAWJWDZPDGUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-5H,10-11H2,(H,12,13).
What are the key properties of 4-(1H-imidazol-2-yl)benzene-1,2-diamine?
4-(1H-imidazol-2-yl)benzene-1,2-diamine has a molecular weight of 174.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 19101595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).