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

C7H12N2O3 — CID 69336359

IUPAC1,3-bis(1-hydroxyethyl)imidazol-2-one
SMILESCC(O)n1ccn(C(C)O)c1=O
InChIInChI=1S/C7H12N2O3/c1-5(10)8-3-4-9(6(2)11)7(8)12/h3-6,10-11H,1-2H3
InChIKeyQSFNAECWDZJLKD-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.33
Rot. Bonds2

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

1,3-bis(1-hydroxyethyl)imidazol-2-one (PubChem CID 69336359) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1,3-bis(1-hydroxyethyl)imidazol-2-one.

Molecular Properties

Compound Name1,3-bis(1-hydroxyethyl)imidazol-2-one
PubChem CID69336359
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1,3-bis(1-hydroxyethyl)imidazol-2-one
SMILESCC(O)n1ccn(C(C)O)c1=O
InChIInChI=1S/C7H12N2O3/c1-5(10)8-3-4-9(6(2)11)7(8)12/h3-6,10-11H,1-2H3
InChIKeyQSFNAECWDZJLKD-UHFFFAOYSA-N
XLogP-0.33
TPSA67.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-hydroxyethyl)imidazol-2-one?
The IUPAC name of 1,3-bis(1-hydroxyethyl)imidazol-2-one (CID 69336359) is 1,3-bis(1-hydroxyethyl)imidazol-2-one.
What is the SMILES notation for 1,3-bis(1-hydroxyethyl)imidazol-2-one?
The canonical SMILES for 1,3-bis(1-hydroxyethyl)imidazol-2-one is CC(O)n1ccn(C(C)O)c1=O.
What is the InChIKey of 1,3-bis(1-hydroxyethyl)imidazol-2-one?
The InChIKey is QSFNAECWDZJLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-5(10)8-3-4-9(6(2)11)7(8)12/h3-6,10-11H,1-2H3.
What are the key properties of 1,3-bis(1-hydroxyethyl)imidazol-2-one?
1,3-bis(1-hydroxyethyl)imidazol-2-one has a molecular weight of 172.18 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-hydroxyethyl)imidazol-2-one is sourced from PubChem (CID 69336359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).