3-benzyl-4-(2-methylphenyl)-1H-imidazol-2-one

C17H16N2O — CID 70453732

IUPAC3-benzyl-4-(2-methylphenyl)-1H-imidazol-2-one
SMILESCc1ccccc1-c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C17H16N2O/c1-13-7-5-6-10-15(13)16-11-18-17(20)19(16)12-14-8-3-2-4-9-14/h2-11H,12H2,1H3,(H,18,20)
InChIKeyAKTMBQCENLAPBU-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.20
Rot. Bonds3

About 3-benzyl-4-(2-methylphenyl)-1H-imidazol-2-one

3-benzyl-4-(2-methylphenyl)-1H-imidazol-2-one (PubChem CID 70453732) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-benzyl-4-(2-methylphenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-benzyl-4-(2-methylphenyl)-1H-imidazol-2-one
PubChem CID70453732
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-benzyl-4-(2-methylphenyl)-1H-imidazol-2-one
SMILESCc1ccccc1-c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C17H16N2O/c1-13-7-5-6-10-15(13)16-11-18-17(20)19(16)12-14-8-3-2-4-9-14/h2-11H,12H2,1H3,(H,18,20)
InChIKeyAKTMBQCENLAPBU-UHFFFAOYSA-N
XLogP3.20
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(2-methylphenyl)-1H-imidazol-2-one?
The IUPAC name of 3-benzyl-4-(2-methylphenyl)-1H-imidazol-2-one (CID 70453732) is 3-benzyl-4-(2-methylphenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-benzyl-4-(2-methylphenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-benzyl-4-(2-methylphenyl)-1H-imidazol-2-one is Cc1ccccc1-c1c[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-(2-methylphenyl)-1H-imidazol-2-one?
The InChIKey is AKTMBQCENLAPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13-7-5-6-10-15(13)16-11-18-17(20)19(16)12-14-8-3-2-4-9-14/h2-11H,12H2,1H3,(H,18,20).
What are the key properties of 3-benzyl-4-(2-methylphenyl)-1H-imidazol-2-one?
3-benzyl-4-(2-methylphenyl)-1H-imidazol-2-one has a molecular weight of 264.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(2-methylphenyl)-1H-imidazol-2-one is sourced from PubChem (CID 70453732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).