1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-3-propylimidazol-2-one

C17H22N2O2 — CID 80579320

IUPAC1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(=O)c2ccc(C(C)C)cc2)c1=O
InChIInChI=1S/C17H22N2O2/c1-4-9-18-10-11-19(17(18)21)12-16(20)15-7-5-14(6-8-15)13(2)3/h5-8,10-11,13H,4,9,12H2,1-3H3
InChIKeyOUGWKZJHCLOLTI-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.07
Rot. Bonds6

About 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-3-propylimidazol-2-one

1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-3-propylimidazol-2-one (PubChem CID 80579320) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-3-propylimidazol-2-one
PubChem CID80579320
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(=O)c2ccc(C(C)C)cc2)c1=O
InChIInChI=1S/C17H22N2O2/c1-4-9-18-10-11-19(17(18)21)12-16(20)15-7-5-14(6-8-15)13(2)3/h5-8,10-11,13H,4,9,12H2,1-3H3
InChIKeyOUGWKZJHCLOLTI-UHFFFAOYSA-N
XLogP3.07
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-3-propylimidazol-2-one (CID 80579320) is 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-3-propylimidazol-2-one is CCCn1ccn(CC(=O)c2ccc(C(C)C)cc2)c1=O.
What is the InChIKey of 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-3-propylimidazol-2-one?
The InChIKey is OUGWKZJHCLOLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-9-18-10-11-19(17(18)21)12-16(20)15-7-5-14(6-8-15)13(2)3/h5-8,10-11,13H,4,9,12H2,1-3H3.
What are the key properties of 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-3-propylimidazol-2-one?
1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-3-propylimidazol-2-one has a molecular weight of 286.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80579320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).