2-(2,3-dimethylphenyl)imidazol-4-one

C11H10N2O — CID 141282403

IUPAC2-(2,3-dimethylphenyl)imidazol-4-one
SMILESCc1cccc(C2=NC(=O)C=N2)c1C
InChIInChI=1S/C11H10N2O/c1-7-4-3-5-9(8(7)2)11-12-6-10(14)13-11/h3-6H,1-2H3
InChIKeyFYLWYECQSXXQIG-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.66
Rot. Bonds1

About 2-(2,3-dimethylphenyl)imidazol-4-one

2-(2,3-dimethylphenyl)imidazol-4-one (PubChem CID 141282403) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)imidazol-4-one
PubChem CID141282403
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-(2,3-dimethylphenyl)imidazol-4-one
SMILESCc1cccc(C2=NC(=O)C=N2)c1C
InChIInChI=1S/C11H10N2O/c1-7-4-3-5-9(8(7)2)11-12-6-10(14)13-11/h3-6H,1-2H3
InChIKeyFYLWYECQSXXQIG-UHFFFAOYSA-N
XLogP1.66
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)imidazol-4-one
CID 57153747
2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine
CID 22475994
methylsulfinylmethane;1,2,3-trimethylbenzene
CID 174947389
3-(2,3-dimethylphenyl)-4,5-dimethylpyridine
CID 146588490
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
2-(2,3-dimethylphenyl)-6-(2-methylphenyl)pyridine
CID 123263739
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674
1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409
5-(2,3-dimethylphenyl)-1H-pyrimidin-2-one
CID 39781837
ethane;1,2,3-trimethylbenzene
CID 54068667
benzene;1,2,3-trimethylbenzene
CID 159605245
4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-amine
CID 155659770

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)imidazol-4-one?
The IUPAC name of 2-(2,3-dimethylphenyl)imidazol-4-one (CID 141282403) is 2-(2,3-dimethylphenyl)imidazol-4-one.
What is the SMILES notation for 2-(2,3-dimethylphenyl)imidazol-4-one?
The canonical SMILES for 2-(2,3-dimethylphenyl)imidazol-4-one is Cc1cccc(C2=NC(=O)C=N2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)imidazol-4-one?
The InChIKey is FYLWYECQSXXQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-7-4-3-5-9(8(7)2)11-12-6-10(14)13-11/h3-6H,1-2H3.
What are the key properties of 2-(2,3-dimethylphenyl)imidazol-4-one?
2-(2,3-dimethylphenyl)imidazol-4-one has a molecular weight of 186.21 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)imidazol-4-one is sourced from PubChem (CID 141282403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).