1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone

C14H16N2O — CID 43797940

IUPAC1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone
SMILESCc1ccc(C(=O)Cn2ccnc2C)cc1C
InChIInChI=1S/C14H16N2O/c1-10-4-5-13(8-11(10)2)14(17)9-16-7-6-15-12(16)3/h4-8H,9H2,1-3H3
InChIKeyMKXBVYWPBPVGOL-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.69
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone

1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone (PubChem CID 43797940) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone
PubChem CID43797940
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone
SMILESCc1ccc(C(=O)Cn2ccnc2C)cc1C
InChIInChI=1S/C14H16N2O/c1-10-4-5-13(8-11(10)2)14(17)9-16-7-6-15-12(16)3/h4-8H,9H2,1-3H3
InChIKeyMKXBVYWPBPVGOL-UHFFFAOYSA-N
XLogP2.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylimidazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 43797913
1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797893
4-[2-(2-methylimidazol-1-yl)acetyl]benzonitrile
CID 43797892
1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581295
5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735025
2-(2-methylimidazol-1-yl)acetic acid;zinc
CID 175370537
N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43919290
3-methyl-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 114485936
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 932622
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66341613
3-methyl-1-(2-methylimidazol-1-yl)butan-2-one
CID 79395102
4-methyl-1-(2-methylimidazol-1-yl)pent-3-en-2-one
CID 131186404

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone (CID 43797940) is 1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone is Cc1ccc(C(=O)Cn2ccnc2C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone?
The InChIKey is MKXBVYWPBPVGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-4-5-13(8-11(10)2)14(17)9-16-7-6-15-12(16)3/h4-8H,9H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone?
1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone has a molecular weight of 228.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone is sourced from PubChem (CID 43797940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).