2-phenyl-1H-imidazol-5-amine

C9H9N3 — CID 14960439

IUPAC2-phenyl-1H-imidazol-5-amine
SMILESNc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C9H9N3/c10-8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)
InChIKeyMOJYDLJMKAMQDC-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.66
Rot. Bonds1

About 2-phenyl-1H-imidazol-5-amine

2-phenyl-1H-imidazol-5-amine (PubChem CID 14960439) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-phenyl-1H-imidazol-5-amine.

Molecular Properties

Compound Name2-phenyl-1H-imidazol-5-amine
PubChem CID14960439
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name2-phenyl-1H-imidazol-5-amine
SMILESNc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C9H9N3/c10-8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)
InChIKeyMOJYDLJMKAMQDC-UHFFFAOYSA-N
XLogP1.66
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-1H-imidazol-5-amine 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 2-phenyl-1H-imidazol-5-amine?
The IUPAC name of 2-phenyl-1H-imidazol-5-amine (CID 14960439) is 2-phenyl-1H-imidazol-5-amine.
What is the SMILES notation for 2-phenyl-1H-imidazol-5-amine?
The canonical SMILES for 2-phenyl-1H-imidazol-5-amine is Nc1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-phenyl-1H-imidazol-5-amine?
The InChIKey is MOJYDLJMKAMQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12).
What are the key properties of 2-phenyl-1H-imidazol-5-amine?
2-phenyl-1H-imidazol-5-amine has a molecular weight of 159.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-imidazol-5-amine is sourced from PubChem (CID 14960439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).