3-benzyl-5-phenyl-1H-imidazol-2-one

C16H14N2O — CID 10264122

IUPAC3-benzyl-5-phenyl-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C16H14N2O/c19-16-17-15(14-9-5-2-6-10-14)12-18(16)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,17,19)
InChIKeyBPLCUGPDQBEZEI-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.89
Rot. Bonds3

About 3-benzyl-5-phenyl-1H-imidazol-2-one

3-benzyl-5-phenyl-1H-imidazol-2-one (PubChem CID 10264122) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-benzyl-5-phenyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-benzyl-5-phenyl-1H-imidazol-2-one
PubChem CID10264122
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-benzyl-5-phenyl-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C16H14N2O/c19-16-17-15(14-9-5-2-6-10-14)12-18(16)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,17,19)
InChIKeyBPLCUGPDQBEZEI-UHFFFAOYSA-N
XLogP2.89
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-phenyl-1H-imidazol-2-one?
The IUPAC name of 3-benzyl-5-phenyl-1H-imidazol-2-one (CID 10264122) is 3-benzyl-5-phenyl-1H-imidazol-2-one.
What is the SMILES notation for 3-benzyl-5-phenyl-1H-imidazol-2-one?
The canonical SMILES for 3-benzyl-5-phenyl-1H-imidazol-2-one is O=c1[nH]c(-c2ccccc2)cn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-phenyl-1H-imidazol-2-one?
The InChIKey is BPLCUGPDQBEZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16-17-15(14-9-5-2-6-10-14)12-18(16)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,17,19).
What are the key properties of 3-benzyl-5-phenyl-1H-imidazol-2-one?
3-benzyl-5-phenyl-1H-imidazol-2-one has a molecular weight of 250.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-phenyl-1H-imidazol-2-one is sourced from PubChem (CID 10264122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).