2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one

C8H14N2O — CID 14624621

IUPAC2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one
SMILESCC1=NC(C)(C(C)C)C(=O)N1
InChIInChI=1S/C8H14N2O/c1-5(2)8(4)7(11)9-6(3)10-8/h5H,1-4H3,(H,9,10,11)
InChIKeyFPBLUIBGZBBIAX-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.95
Rot. Bonds1

About 2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one

2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one (PubChem CID 14624621) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one
PubChem CID14624621
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one
SMILESCC1=NC(C)(C(C)C)C(=O)N1
InChIInChI=1S/C8H14N2O/c1-5(2)8(4)7(11)9-6(3)10-8/h5H,1-4H3,(H,9,10,11)
InChIKeyFPBLUIBGZBBIAX-UHFFFAOYSA-N
XLogP0.95
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-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 2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one?
The IUPAC name of 2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one (CID 14624621) is 2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one.
What is the SMILES notation for 2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one?
The canonical SMILES for 2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one is CC1=NC(C)(C(C)C)C(=O)N1.
What is the InChIKey of 2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one?
The InChIKey is FPBLUIBGZBBIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5(2)8(4)7(11)9-6(3)10-8/h5H,1-4H3,(H,9,10,11).
What are the key properties of 2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one?
2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one has a molecular weight of 154.21 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one is sourced from PubChem (CID 14624621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).