2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one

C15H19FN2OS — CID 83271224

IUPAC2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
SMILESCC1NC(c2ccc(F)cc2)N(CC2CCCS2)C1=O
InChIInChI=1S/C15H19FN2OS/c1-10-15(19)18(9-13-3-2-8-20-13)14(17-10)11-4-6-12(16)7-5-11/h4-7,10,13-14,17H,2-3,8-9H2,1H3
InChIKeyLWSRGRLNEDROHS-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.54
Rot. Bonds3

About 2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one

2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one (PubChem CID 83271224) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
PubChem CID83271224
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC Name2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
SMILESCC1NC(c2ccc(F)cc2)N(CC2CCCS2)C1=O
InChIInChI=1S/C15H19FN2OS/c1-10-15(19)18(9-13-3-2-8-20-13)14(17-10)11-4-6-12(16)7-5-11/h4-7,10,13-14,17H,2-3,8-9H2,1H3
InChIKeyLWSRGRLNEDROHS-UHFFFAOYSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83266966
2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83266975
2-(2-fluorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83266971
2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83269990
2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one
CID 115282121
3-(cyclopentylmethyl)-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83243594
3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83250488
2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one
CID 83244083
3-cyclopentyl-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83241955
3-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83250403
2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one
CID 83247502
3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one
CID 83243599

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one (CID 83271224) is 2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one is CC1NC(c2ccc(F)cc2)N(CC2CCCS2)C1=O.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The InChIKey is LWSRGRLNEDROHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-10-15(19)18(9-13-3-2-8-20-13)14(17-10)11-4-6-12(16)7-5-11/h4-7,10,13-14,17H,2-3,8-9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one has a molecular weight of 294.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83271224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).