1-methyl-2-(2-methylphenyl)-4H-imidazol-5-one

C11H12N2O — CID 69096108

IUPAC1-methyl-2-(2-methylphenyl)-4H-imidazol-5-one
SMILESCc1ccccc1C1=NCC(=O)N1C
InChIInChI=1S/C11H12N2O/c1-8-5-3-4-6-9(8)11-12-7-10(14)13(11)2/h3-6H,7H2,1-2H3
InChIKeyNYWZVIGMOKZEQE-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.21
Rot. Bonds1

About 1-methyl-2-(2-methylphenyl)-4H-imidazol-5-one

1-methyl-2-(2-methylphenyl)-4H-imidazol-5-one (PubChem CID 69096108) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-methyl-2-(2-methylphenyl)-4H-imidazol-5-one.

Molecular Properties

Compound Name1-methyl-2-(2-methylphenyl)-4H-imidazol-5-one
PubChem CID69096108
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-methyl-2-(2-methylphenyl)-4H-imidazol-5-one
SMILESCc1ccccc1C1=NCC(=O)N1C
InChIInChI=1S/C11H12N2O/c1-8-5-3-4-6-9(8)11-12-7-10(14)13(11)2/h3-6H,7H2,1-2H3
InChIKeyNYWZVIGMOKZEQE-UHFFFAOYSA-N
XLogP1.21
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylphenyl)-4H-imidazol-5-one?
The IUPAC name of 1-methyl-2-(2-methylphenyl)-4H-imidazol-5-one (CID 69096108) is 1-methyl-2-(2-methylphenyl)-4H-imidazol-5-one.
What is the SMILES notation for 1-methyl-2-(2-methylphenyl)-4H-imidazol-5-one?
The canonical SMILES for 1-methyl-2-(2-methylphenyl)-4H-imidazol-5-one is Cc1ccccc1C1=NCC(=O)N1C.
What is the InChIKey of 1-methyl-2-(2-methylphenyl)-4H-imidazol-5-one?
The InChIKey is NYWZVIGMOKZEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-5-3-4-6-9(8)11-12-7-10(14)13(11)2/h3-6H,7H2,1-2H3.
What are the key properties of 1-methyl-2-(2-methylphenyl)-4H-imidazol-5-one?
1-methyl-2-(2-methylphenyl)-4H-imidazol-5-one has a molecular weight of 188.23 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylphenyl)-4H-imidazol-5-one is sourced from PubChem (CID 69096108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).