1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3-propylimidazol-2-one

C17H24N2O2 — CID 80580329

IUPAC1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3-propylimidazol-2-one
SMILESCCCc1ccc(C(O)Cn2ccn(CCC)c2=O)cc1
InChIInChI=1S/C17H24N2O2/c1-3-5-14-6-8-15(9-7-14)16(20)13-19-12-11-18(10-4-2)17(19)21/h6-9,11-12,16,20H,3-5,10,13H2,1-2H3
InChIKeyWQHIMLHSTPKGGZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.75
Rot. Bonds7

About 1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3-propylimidazol-2-one

1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3-propylimidazol-2-one (PubChem CID 80580329) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3-propylimidazol-2-one
PubChem CID80580329
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3-propylimidazol-2-one
SMILESCCCc1ccc(C(O)Cn2ccn(CCC)c2=O)cc1
InChIInChI=1S/C17H24N2O2/c1-3-5-14-6-8-15(9-7-14)16(20)13-19-12-11-18(10-4-2)17(19)21/h6-9,11-12,16,20H,3-5,10,13H2,1-2H3
InChIKeyWQHIMLHSTPKGGZ-UHFFFAOYSA-N
XLogP2.75
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-2-(4-methylphenyl)ethyl]-3-propylimidazol-2-one
CID 80581654
1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-3-propylimidazol-2-one
CID 80579320
1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol
CID 114539064
1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301285
1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one
CID 80580603
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol
CID 83221740
2-(methylamino)-1-(4-propylphenyl)ethanol
CID 64988870
2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol
CID 63635565
5-hydroxy-5-(4-propylphenyl)pentanoic acid
CID 43117855
1-[2-(methylamino)butyl]-3-propylimidazol-2-one
CID 80581786
1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-2-one
CID 80581653
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol
CID 115561354

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3-propylimidazol-2-one (CID 80580329) is 1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3-propylimidazol-2-one is CCCc1ccc(C(O)Cn2ccn(CCC)c2=O)cc1.
What is the InChIKey of 1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3-propylimidazol-2-one?
The InChIKey is WQHIMLHSTPKGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-5-14-6-8-15(9-7-14)16(20)13-19-12-11-18(10-4-2)17(19)21/h6-9,11-12,16,20H,3-5,10,13H2,1-2H3.
What are the key properties of 1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3-propylimidazol-2-one?
1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3-propylimidazol-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80580329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).