4-phenylimidazole-1,2-diamine

C9H10N4 — CID 765290

IUPAC4-phenylimidazole-1,2-diamine
SMILESNc1nc(-c2ccccc2)cn1N
InChIInChI=1S/C9H10N4/c10-9-12-8(6-13(9)11)7-4-2-1-3-5-7/h1-6H,11H2,(H2,10,12)
InChIKeyPDRGDRQVKOPWFY-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.85
Rot. Bonds1

About 4-phenylimidazole-1,2-diamine

4-phenylimidazole-1,2-diamine (PubChem CID 765290) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 4-phenylimidazole-1,2-diamine.

Molecular Properties

Compound Name4-phenylimidazole-1,2-diamine
PubChem CID765290
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name4-phenylimidazole-1,2-diamine
SMILESNc1nc(-c2ccccc2)cn1N
InChIInChI=1S/C9H10N4/c10-9-12-8(6-13(9)11)7-4-2-1-3-5-7/h1-6H,11H2,(H2,10,12)
InChIKeyPDRGDRQVKOPWFY-UHFFFAOYSA-N
XLogP0.85
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenylimidazole-1,2-diamine?
The IUPAC name of 4-phenylimidazole-1,2-diamine (CID 765290) is 4-phenylimidazole-1,2-diamine.
What is the SMILES notation for 4-phenylimidazole-1,2-diamine?
The canonical SMILES for 4-phenylimidazole-1,2-diamine is Nc1nc(-c2ccccc2)cn1N.
What is the InChIKey of 4-phenylimidazole-1,2-diamine?
The InChIKey is PDRGDRQVKOPWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-9-12-8(6-13(9)11)7-4-2-1-3-5-7/h1-6H,11H2,(H2,10,12).
What are the key properties of 4-phenylimidazole-1,2-diamine?
4-phenylimidazole-1,2-diamine has a molecular weight of 174.21 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylimidazole-1,2-diamine is sourced from PubChem (CID 765290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).