3,4,5-trimethyl-1H-imidazol-2-one

C6H10N2O — CID 14823703

IUPAC3,4,5-trimethyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(C)c1C
InChIInChI=1S/C6H10N2O/c1-4-5(2)8(3)6(9)7-4/h1-3H3,(H,7,9)
InChIKeyWDRMVOGAURDGDS-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.33
Rot. Bonds

About 3,4,5-trimethyl-1H-imidazol-2-one

3,4,5-trimethyl-1H-imidazol-2-one (PubChem CID 14823703) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3,4,5-trimethyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3,4,5-trimethyl-1H-imidazol-2-one
PubChem CID14823703
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3,4,5-trimethyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(C)c1C
InChIInChI=1S/C6H10N2O/c1-4-5(2)8(3)6(9)7-4/h1-3H3,(H,7,9)
InChIKeyWDRMVOGAURDGDS-UHFFFAOYSA-N
XLogP0.33
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4,5-trimethyl-1H-imidazol-2-one 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 3,4,5-trimethyl-1H-imidazol-2-one?
The IUPAC name of 3,4,5-trimethyl-1H-imidazol-2-one (CID 14823703) is 3,4,5-trimethyl-1H-imidazol-2-one.
What is the SMILES notation for 3,4,5-trimethyl-1H-imidazol-2-one?
The canonical SMILES for 3,4,5-trimethyl-1H-imidazol-2-one is Cc1[nH]c(=O)n(C)c1C.
What is the InChIKey of 3,4,5-trimethyl-1H-imidazol-2-one?
The InChIKey is WDRMVOGAURDGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4-5(2)8(3)6(9)7-4/h1-3H3,(H,7,9).
What are the key properties of 3,4,5-trimethyl-1H-imidazol-2-one?
3,4,5-trimethyl-1H-imidazol-2-one has a molecular weight of 126.16 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-1H-imidazol-2-one is sourced from PubChem (CID 14823703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).