2-amino-4-phenyl-1,4-dihydroimidazol-5-one

C9H9N3O — CID 45120950

IUPAC2-amino-4-phenyl-1,4-dihydroimidazol-5-one
SMILESNC1=NC(c2ccccc2)C(=O)N1
InChIInChI=1S/C9H9N3O/c10-9-11-7(8(13)12-9)6-4-2-1-3-5-6/h1-5,7H,(H3,10,11,12,13)
InChIKeyMVGIWZSDTZCPMJ-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.17
Rot. Bonds1

About 2-amino-4-phenyl-1,4-dihydroimidazol-5-one

2-amino-4-phenyl-1,4-dihydroimidazol-5-one (PubChem CID 45120950) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-amino-4-phenyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-amino-4-phenyl-1,4-dihydroimidazol-5-one
PubChem CID45120950
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-amino-4-phenyl-1,4-dihydroimidazol-5-one
SMILESNC1=NC(c2ccccc2)C(=O)N1
InChIInChI=1S/C9H9N3O/c10-9-11-7(8(13)12-9)6-4-2-1-3-5-6/h1-5,7H,(H3,10,11,12,13)
InChIKeyMVGIWZSDTZCPMJ-UHFFFAOYSA-N
XLogP0.17
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-amino-4-phenyl-1,4-dihydroimidazol-5-one (CID 45120950) is 2-amino-4-phenyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-amino-4-phenyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-amino-4-phenyl-1,4-dihydroimidazol-5-one is NC1=NC(c2ccccc2)C(=O)N1.
What is the InChIKey of 2-amino-4-phenyl-1,4-dihydroimidazol-5-one?
The InChIKey is MVGIWZSDTZCPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-9-11-7(8(13)12-9)6-4-2-1-3-5-6/h1-5,7H,(H3,10,11,12,13).
What are the key properties of 2-amino-4-phenyl-1,4-dihydroimidazol-5-one?
2-amino-4-phenyl-1,4-dihydroimidazol-5-one has a molecular weight of 175.19 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 45120950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).