N-phenyl-4H-imidazol-5-amine

C9H9N3 — CID 18522105

IUPACN-phenyl-4H-imidazol-5-amine
SMILESC1=NCC(Nc2ccccc2)=N1
InChIInChI=1S/C9H9N3/c1-2-4-8(5-3-1)12-9-6-10-7-11-9/h1-5,7H,6H2,(H,10,11,12)
InChIKeyRZYXZFQITKJLGF-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.54
Rot. Bonds1

About N-phenyl-4H-imidazol-5-amine

N-phenyl-4H-imidazol-5-amine (PubChem CID 18522105) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-phenyl-4H-imidazol-5-amine.

Molecular Properties

Compound NameN-phenyl-4H-imidazol-5-amine
PubChem CID18522105
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC NameN-phenyl-4H-imidazol-5-amine
SMILESC1=NCC(Nc2ccccc2)=N1
InChIInChI=1S/C9H9N3/c1-2-4-8(5-3-1)12-9-6-10-7-11-9/h1-5,7H,6H2,(H,10,11,12)
InChIKeyRZYXZFQITKJLGF-UHFFFAOYSA-N
XLogP1.54
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4H-imidazol-5-amine?
The IUPAC name of N-phenyl-4H-imidazol-5-amine (CID 18522105) is N-phenyl-4H-imidazol-5-amine.
What is the SMILES notation for N-phenyl-4H-imidazol-5-amine?
The canonical SMILES for N-phenyl-4H-imidazol-5-amine is C1=NCC(Nc2ccccc2)=N1.
What is the InChIKey of N-phenyl-4H-imidazol-5-amine?
The InChIKey is RZYXZFQITKJLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-2-4-8(5-3-1)12-9-6-10-7-11-9/h1-5,7H,6H2,(H,10,11,12).
What are the key properties of N-phenyl-4H-imidazol-5-amine?
N-phenyl-4H-imidazol-5-amine has a molecular weight of 159.19 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4H-imidazol-5-amine is sourced from PubChem (CID 18522105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).