1-(2,3-dimethyl-2H-imidazol-1-yl)ethanone

C7H12N2O — CID 174911909

IUPAC1-(2,3-dimethyl-2H-imidazol-1-yl)ethanone
SMILESCC(=O)N1C=CN(C)C1C
InChIInChI=1S/C7H12N2O/c1-6-8(3)4-5-9(6)7(2)10/h4-6H,1-3H3
InChIKeyYZZPRXZJXYEPAH-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.60
Rot. Bonds

About 1-(2,3-dimethyl-2H-imidazol-1-yl)ethanone

1-(2,3-dimethyl-2H-imidazol-1-yl)ethanone (PubChem CID 174911909) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(2,3-dimethyl-2H-imidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethyl-2H-imidazol-1-yl)ethanone
PubChem CID174911909
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-(2,3-dimethyl-2H-imidazol-1-yl)ethanone
SMILESCC(=O)N1C=CN(C)C1C
InChIInChI=1S/C7H12N2O/c1-6-8(3)4-5-9(6)7(2)10/h4-6H,1-3H3
InChIKeyYZZPRXZJXYEPAH-UHFFFAOYSA-N
XLogP0.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dimethyl-2H-imidazol-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

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-2H-imidazol-1-yl)ethanone?
The IUPAC name of 1-(2,3-dimethyl-2H-imidazol-1-yl)ethanone (CID 174911909) is 1-(2,3-dimethyl-2H-imidazol-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dimethyl-2H-imidazol-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dimethyl-2H-imidazol-1-yl)ethanone is CC(=O)N1C=CN(C)C1C.
What is the InChIKey of 1-(2,3-dimethyl-2H-imidazol-1-yl)ethanone?
The InChIKey is YZZPRXZJXYEPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6-8(3)4-5-9(6)7(2)10/h4-6H,1-3H3.
What are the key properties of 1-(2,3-dimethyl-2H-imidazol-1-yl)ethanone?
1-(2,3-dimethyl-2H-imidazol-1-yl)ethanone has a molecular weight of 140.19 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-2H-imidazol-1-yl)ethanone is sourced from PubChem (CID 174911909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).