3-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-3-hydroxyoxiran-2-one

C14H13ClN2O3 — CID 142479484

IUPAC3-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-3-hydroxyoxiran-2-one
SMILESO=C1OC1(O)c1nccn1CCCc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O3/c15-11-5-3-10(4-6-11)2-1-8-17-9-7-16-12(17)14(19)13(18)20-14/h3-7,9,19H,1-2,8H2
InChIKeyLZIAAMLVSDRANE-UHFFFAOYSA-N
MW292.72 g/mol
LogP1.87
Rot. Bonds5

About 3-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-3-hydroxyoxiran-2-one

3-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-3-hydroxyoxiran-2-one (PubChem CID 142479484) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 3-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-3-hydroxyoxiran-2-one.

Molecular Properties

Compound Name3-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-3-hydroxyoxiran-2-one
PubChem CID142479484
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name3-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-3-hydroxyoxiran-2-one
SMILESO=C1OC1(O)c1nccn1CCCc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O3/c15-11-5-3-10(4-6-11)2-1-8-17-9-7-16-12(17)14(19)13(18)20-14/h3-7,9,19H,1-2,8H2
InChIKeyLZIAAMLVSDRANE-UHFFFAOYSA-N
XLogP1.87
TPSA67.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-3-hydroxyoxiran-2-one?
The IUPAC name of 3-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-3-hydroxyoxiran-2-one (CID 142479484) is 3-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-3-hydroxyoxiran-2-one.
What is the SMILES notation for 3-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-3-hydroxyoxiran-2-one?
The canonical SMILES for 3-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-3-hydroxyoxiran-2-one is O=C1OC1(O)c1nccn1CCCc1ccc(Cl)cc1.
What is the InChIKey of 3-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-3-hydroxyoxiran-2-one?
The InChIKey is LZIAAMLVSDRANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-11-5-3-10(4-6-11)2-1-8-17-9-7-16-12(17)14(19)13(18)20-14/h3-7,9,19H,1-2,8H2.
What are the key properties of 3-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-3-hydroxyoxiran-2-one?
3-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-3-hydroxyoxiran-2-one has a molecular weight of 292.72 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-3-hydroxyoxiran-2-one is sourced from PubChem (CID 142479484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).