2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one

C14H20N2O4S — CID 83262833

IUPAC2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
SMILESCOc1ccc(C2NCC(=O)N2C(C)CS(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-10(9-21(3,18)19)16-13(17)8-15-14(16)11-4-6-12(20-2)7-5-11/h4-7,10,14-15H,8-9H2,1-3H3
InChIKeyPBBVSEKQCNPCOE-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.56
Rot. Bonds5

About 2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one

2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one (PubChem CID 83262833) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
PubChem CID83262833
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
SMILESCOc1ccc(C2NCC(=O)N2C(C)CS(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-10(9-21(3,18)19)16-13(17)8-15-14(16)11-4-6-12(20-2)7-5-11/h4-7,10,14-15H,8-9H2,1-3H3
InChIKeyPBBVSEKQCNPCOE-UHFFFAOYSA-N
XLogP0.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83262831
3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83253333
3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83252329
3-(2-cyclopropylethyl)-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83259179
2-(4-ethoxyphenyl)-3-(1-methoxybutan-2-yl)imidazolidin-4-one
CID 83263485
2-(4-fluorophenyl)-3-(3-methylpentan-2-yl)imidazolidin-4-one
CID 83246051
3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83242702
3-cycloheptyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83246732
2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242836
2-(2-methoxyphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one
CID 83244014
2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83255096
2-(4-chlorophenyl)-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one
CID 83252428

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one (CID 83262833) is 2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one is COc1ccc(C2NCC(=O)N2C(C)CS(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one?
The InChIKey is PBBVSEKQCNPCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10(9-21(3,18)19)16-13(17)8-15-14(16)11-4-6-12(20-2)7-5-11/h4-7,10,14-15H,8-9H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one?
2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one has a molecular weight of 312.39 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83262833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).