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

C9H8N2O — CID 2749590

IUPAC2-phenyl-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(c2ccccc2)N1
InChIInChI=1S/C9H8N2O/c12-8-6-10-9(11-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11,12)
InChIKeyKFBMCKOKEPUGSN-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.56
Rot. Bonds1

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

2-phenyl-1,4-dihydroimidazol-5-one (PubChem CID 2749590) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-phenyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-phenyl-1,4-dihydroimidazol-5-one
PubChem CID2749590
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2-phenyl-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(c2ccccc2)N1
InChIInChI=1S/C9H8N2O/c12-8-6-10-9(11-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11,12)
InChIKeyKFBMCKOKEPUGSN-UHFFFAOYSA-N
XLogP0.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-phenyl-1,4-dihydroimidazol-5-one (CID 2749590) is 2-phenyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-phenyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-phenyl-1,4-dihydroimidazol-5-one is O=C1CN=C(c2ccccc2)N1.
What is the InChIKey of 2-phenyl-1,4-dihydroimidazol-5-one?
The InChIKey is KFBMCKOKEPUGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-8-6-10-9(11-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11,12).
What are the key properties of 2-phenyl-1,4-dihydroimidazol-5-one?
2-phenyl-1,4-dihydroimidazol-5-one has a molecular weight of 160.18 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 2749590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).