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

C9H9N3 — CID 12733693

IUPAC5-phenyl-1H-imidazol-2-amine
SMILESNc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C9H9N3/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)
InChIKeyNODFMZCEEBQXME-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.66
Rot. Bonds1

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

5-phenyl-1H-imidazol-2-amine (PubChem CID 12733693) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-phenyl-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-phenyl-1H-imidazol-2-amine
PubChem CID12733693
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name5-phenyl-1H-imidazol-2-amine
SMILESNc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C9H9N3/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)
InChIKeyNODFMZCEEBQXME-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

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1H-imidazol-2-amine?
The IUPAC name of 5-phenyl-1H-imidazol-2-amine (CID 12733693) is 5-phenyl-1H-imidazol-2-amine.
What is the SMILES notation for 5-phenyl-1H-imidazol-2-amine?
The canonical SMILES for 5-phenyl-1H-imidazol-2-amine is Nc1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 5-phenyl-1H-imidazol-2-amine?
The InChIKey is NODFMZCEEBQXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12).
What are the key properties of 5-phenyl-1H-imidazol-2-amine?
5-phenyl-1H-imidazol-2-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 5-phenyl-1H-imidazol-2-amine is sourced from PubChem (CID 12733693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).