3-(2-hydroxypropyl)-1,4-dimethylimidazol-2-one

C8H14N2O2 — CID 112545285

IUPAC3-(2-hydroxypropyl)-1,4-dimethylimidazol-2-one
SMILESCc1cn(C)c(=O)n1CC(C)O
InChIInChI=1S/C8H14N2O2/c1-6-4-9(3)8(12)10(6)5-7(2)11/h4,7,11H,5H2,1-3H3
InChIKeyBERCRIUFTYGCHK-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.12
Rot. Bonds2

About 3-(2-hydroxypropyl)-1,4-dimethylimidazol-2-one

3-(2-hydroxypropyl)-1,4-dimethylimidazol-2-one (PubChem CID 112545285) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-1,4-dimethylimidazol-2-one.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-1,4-dimethylimidazol-2-one
PubChem CID112545285
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-(2-hydroxypropyl)-1,4-dimethylimidazol-2-one
SMILESCc1cn(C)c(=O)n1CC(C)O
InChIInChI=1S/C8H14N2O2/c1-6-4-9(3)8(12)10(6)5-7(2)11/h4,7,11H,5H2,1-3H3
InChIKeyBERCRIUFTYGCHK-UHFFFAOYSA-N
XLogP-0.12
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-hydroxypropyl)-1,4-dimethylimidazol-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

Related Compounds

1-ethyl-3-(3-fluoro-2-hydroxypropyl)-2,3-dihydro-1H-imidazol-2-one
CID 165595567
1-(3-fluoro-2-hydroxypropyl)-3-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one
CID 165595894
1-(3-fluoro-2-hydroxypropyl)-4-methyl-2,3-dihydro-1H-imidazol-2-one
CID 165600120
1-Ethyl-3-(2-hydroxypropyl)imidazol-2-one
CID 80581237
1-Ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one
CID 80581257
1-(2-Hydroxypropyl)-3-methylimidazol-2-one
CID 80581369
1-(3-Hydroxybutan-2-yl)-3-methylimidazol-2-one
CID 80581370
1-(2-Hydroxybutyl)-3-methylimidazol-2-one
CID 80581412
1-(2-Hydroxypropyl)-3-propylimidazol-2-one
CID 80581475
1-(3-Hydroxybutan-2-yl)-3-propylimidazol-2-one
CID 80581476
1-(2-Hydroxypropyl)-3-propan-2-ylimidazol-2-one
CID 80582024
1-(3-Hydroxybutan-2-yl)-3-propan-2-ylimidazol-2-one
CID 80582025

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-1,4-dimethylimidazol-2-one?
The IUPAC name of 3-(2-hydroxypropyl)-1,4-dimethylimidazol-2-one (CID 112545285) is 3-(2-hydroxypropyl)-1,4-dimethylimidazol-2-one.
What is the SMILES notation for 3-(2-hydroxypropyl)-1,4-dimethylimidazol-2-one?
The canonical SMILES for 3-(2-hydroxypropyl)-1,4-dimethylimidazol-2-one is Cc1cn(C)c(=O)n1CC(C)O.
What is the InChIKey of 3-(2-hydroxypropyl)-1,4-dimethylimidazol-2-one?
The InChIKey is BERCRIUFTYGCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6-4-9(3)8(12)10(6)5-7(2)11/h4,7,11H,5H2,1-3H3.
What are the key properties of 3-(2-hydroxypropyl)-1,4-dimethylimidazol-2-one?
3-(2-hydroxypropyl)-1,4-dimethylimidazol-2-one has a molecular weight of 170.21 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-1,4-dimethylimidazol-2-one is sourced from PubChem (CID 112545285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).