3-methyl-5-propan-2-yl-1H-imidazol-2-one

C7H12N2O — CID 58222525

IUPAC3-methyl-5-propan-2-yl-1H-imidazol-2-one
SMILESCC(C)c1cn(C)c(=O)[nH]1
InChIInChI=1S/C7H12N2O/c1-5(2)6-4-9(3)7(10)8-6/h4-5H,1-3H3,(H,8,10)
InChIKeyKHQQZXYDQPHABO-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.84
Rot. Bonds1

About 3-methyl-5-propan-2-yl-1H-imidazol-2-one

3-methyl-5-propan-2-yl-1H-imidazol-2-one (PubChem CID 58222525) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-1H-imidazol-2-one
PubChem CID58222525
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-methyl-5-propan-2-yl-1H-imidazol-2-one
SMILESCC(C)c1cn(C)c(=O)[nH]1
InChIInChI=1S/C7H12N2O/c1-5(2)6-4-9(3)7(10)8-6/h4-5H,1-3H3,(H,8,10)
InChIKeyKHQQZXYDQPHABO-UHFFFAOYSA-N
XLogP0.84
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-5-propan-2-yl-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-methyl-5-propan-2-yl-1H-imidazol-2-one?
The IUPAC name of 3-methyl-5-propan-2-yl-1H-imidazol-2-one (CID 58222525) is 3-methyl-5-propan-2-yl-1H-imidazol-2-one.
What is the SMILES notation for 3-methyl-5-propan-2-yl-1H-imidazol-2-one?
The canonical SMILES for 3-methyl-5-propan-2-yl-1H-imidazol-2-one is CC(C)c1cn(C)c(=O)[nH]1.
What is the InChIKey of 3-methyl-5-propan-2-yl-1H-imidazol-2-one?
The InChIKey is KHQQZXYDQPHABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(2)6-4-9(3)7(10)8-6/h4-5H,1-3H3,(H,8,10).
What are the key properties of 3-methyl-5-propan-2-yl-1H-imidazol-2-one?
3-methyl-5-propan-2-yl-1H-imidazol-2-one has a molecular weight of 140.19 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-1H-imidazol-2-one is sourced from PubChem (CID 58222525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).