5-cyclohexyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-2-hydroxy-1,5-dimethylimidazolidin-4-one

C19H25FN2O3 — CID 138510015

IUPAC5-cyclohexyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-2-hydroxy-1,5-dimethylimidazolidin-4-one
SMILESCN1C(O)N(CC(=O)c2cccc(F)c2)C(=O)C1(C)C1CCCCC1
InChIInChI=1S/C19H25FN2O3/c1-19(14-8-4-3-5-9-14)17(24)22(18(25)21(19)2)12-16(23)13-7-6-10-15(20)11-13/h6-7,10-11,14,18,25H,3-5,8-9,12H2,1-2H3
InChIKeyOLHLHJFLLVDBHX-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.40
Rot. Bonds4

About 5-cyclohexyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-2-hydroxy-1,5-dimethylimidazolidin-4-one

5-cyclohexyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-2-hydroxy-1,5-dimethylimidazolidin-4-one (PubChem CID 138510015) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 5-cyclohexyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-2-hydroxy-1,5-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name5-cyclohexyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-2-hydroxy-1,5-dimethylimidazolidin-4-one
PubChem CID138510015
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name5-cyclohexyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-2-hydroxy-1,5-dimethylimidazolidin-4-one
SMILESCN1C(O)N(CC(=O)c2cccc(F)c2)C(=O)C1(C)C1CCCCC1
InChIInChI=1S/C19H25FN2O3/c1-19(14-8-4-3-5-9-14)17(24)22(18(25)21(19)2)12-16(23)13-7-6-10-15(20)11-13/h6-7,10-11,14,18,25H,3-5,8-9,12H2,1-2H3
InChIKeyOLHLHJFLLVDBHX-UHFFFAOYSA-N
XLogP2.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-2-hydroxy-1,5-dimethylimidazolidin-4-one?
The IUPAC name of 5-cyclohexyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-2-hydroxy-1,5-dimethylimidazolidin-4-one (CID 138510015) is 5-cyclohexyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-2-hydroxy-1,5-dimethylimidazolidin-4-one.
What is the SMILES notation for 5-cyclohexyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-2-hydroxy-1,5-dimethylimidazolidin-4-one?
The canonical SMILES for 5-cyclohexyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-2-hydroxy-1,5-dimethylimidazolidin-4-one is CN1C(O)N(CC(=O)c2cccc(F)c2)C(=O)C1(C)C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-2-hydroxy-1,5-dimethylimidazolidin-4-one?
The InChIKey is OLHLHJFLLVDBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-19(14-8-4-3-5-9-14)17(24)22(18(25)21(19)2)12-16(23)13-7-6-10-15(20)11-13/h6-7,10-11,14,18,25H,3-5,8-9,12H2,1-2H3.
What are the key properties of 5-cyclohexyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-2-hydroxy-1,5-dimethylimidazolidin-4-one?
5-cyclohexyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-2-hydroxy-1,5-dimethylimidazolidin-4-one has a molecular weight of 348.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-2-hydroxy-1,5-dimethylimidazolidin-4-one is sourced from PubChem (CID 138510015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).