1-[2-(2-chloroethoxy)ethyl]-3-propylimidazol-2-one

C10H17ClN2O2 — CID 80580804

IUPAC1-[2-(2-chloroethoxy)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CCOCCCl)c1=O
InChIInChI=1S/C10H17ClN2O2/c1-2-4-12-5-6-13(10(12)14)7-9-15-8-3-11/h5-6H,2-4,7-9H2,1H3
InChIKeyUEUADJSOGQVOSK-UHFFFAOYSA-N
MW232.71 g/mol
LogP1.32
Rot. Bonds7

About 1-[2-(2-chloroethoxy)ethyl]-3-propylimidazol-2-one

1-[2-(2-chloroethoxy)ethyl]-3-propylimidazol-2-one (PubChem CID 80580804) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-[2-(2-chloroethoxy)ethyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2-chloroethoxy)ethyl]-3-propylimidazol-2-one
PubChem CID80580804
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name1-[2-(2-chloroethoxy)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CCOCCCl)c1=O
InChIInChI=1S/C10H17ClN2O2/c1-2-4-12-5-6-13(10(12)14)7-9-15-8-3-11/h5-6H,2-4,7-9H2,1H3
InChIKeyUEUADJSOGQVOSK-UHFFFAOYSA-N
XLogP1.32
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-3-propylimidazol-2-one (CID 80580804) is 1-[2-(2-chloroethoxy)ethyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[2-(2-chloroethoxy)ethyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[2-(2-chloroethoxy)ethyl]-3-propylimidazol-2-one is CCCn1ccn(CCOCCCl)c1=O.
What is the InChIKey of 1-[2-(2-chloroethoxy)ethyl]-3-propylimidazol-2-one?
The InChIKey is UEUADJSOGQVOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-2-4-12-5-6-13(10(12)14)7-9-15-8-3-11/h5-6H,2-4,7-9H2,1H3.
What are the key properties of 1-[2-(2-chloroethoxy)ethyl]-3-propylimidazol-2-one?
1-[2-(2-chloroethoxy)ethyl]-3-propylimidazol-2-one has a molecular weight of 232.71 g/mol, XLogP of 1.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroethoxy)ethyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80580804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).