1,3-bis(2-hydroxyethyl)imidazol-2-one

C7H12N2O3 — CID 69117995

IUPAC1,3-bis(2-hydroxyethyl)imidazol-2-one
SMILESO=c1n(CCO)ccn1CCO
InChIInChI=1S/C7H12N2O3/c10-5-3-8-1-2-9(4-6-11)7(8)12/h1-2,10-11H,3-6H2
InChIKeyRCZJPBVZGZIIAS-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.37
Rot. Bonds4

About 1,3-bis(2-hydroxyethyl)imidazol-2-one

1,3-bis(2-hydroxyethyl)imidazol-2-one (PubChem CID 69117995) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1,3-bis(2-hydroxyethyl)imidazol-2-one.

Molecular Properties

Compound Name1,3-bis(2-hydroxyethyl)imidazol-2-one
PubChem CID69117995
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1,3-bis(2-hydroxyethyl)imidazol-2-one
SMILESO=c1n(CCO)ccn1CCO
InChIInChI=1S/C7H12N2O3/c10-5-3-8-1-2-9(4-6-11)7(8)12/h1-2,10-11H,3-6H2
InChIKeyRCZJPBVZGZIIAS-UHFFFAOYSA-N
XLogP-1.37
TPSA67.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,3-bis(2-hydroxyethyl)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 1,3-bis(2-hydroxyethyl)imidazol-2-one?
The IUPAC name of 1,3-bis(2-hydroxyethyl)imidazol-2-one (CID 69117995) is 1,3-bis(2-hydroxyethyl)imidazol-2-one.
What is the SMILES notation for 1,3-bis(2-hydroxyethyl)imidazol-2-one?
The canonical SMILES for 1,3-bis(2-hydroxyethyl)imidazol-2-one is O=c1n(CCO)ccn1CCO.
What is the InChIKey of 1,3-bis(2-hydroxyethyl)imidazol-2-one?
The InChIKey is RCZJPBVZGZIIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c10-5-3-8-1-2-9(4-6-11)7(8)12/h1-2,10-11H,3-6H2.
What are the key properties of 1,3-bis(2-hydroxyethyl)imidazol-2-one?
1,3-bis(2-hydroxyethyl)imidazol-2-one has a molecular weight of 172.18 g/mol, XLogP of -1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxyethyl)imidazol-2-one is sourced from PubChem (CID 69117995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).