2-(2,4-dimethylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one

C17H20N2OS — CID 83267679

IUPAC2-(2,4-dimethylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2Cc2cscc2C)c(C)c1
InChIInChI=1S/C17H20N2OS/c1-11-4-5-15(12(2)6-11)17-18-7-16(20)19(17)8-14-10-21-9-13(14)3/h4-6,9-10,17-18H,7-8H2,1-3H3
InChIKeyKXPLVPIYZFKSKH-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.30
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one

2-(2,4-dimethylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one (PubChem CID 83267679) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one
PubChem CID83267679
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(2,4-dimethylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2Cc2cscc2C)c(C)c1
InChIInChI=1S/C17H20N2OS/c1-11-4-5-15(12(2)6-11)17-18-7-16(20)19(17)8-14-10-21-9-13(14)3/h4-6,9-10,17-18H,7-8H2,1-3H3
InChIKeyKXPLVPIYZFKSKH-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one
CID 83271425
3-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83251335
3-[2-(dimethylamino)propyl]-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83249995
3-(2-cyclopentylethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83246005
2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83245513
methyl 3-[2-(2,4-dimethylphenyl)-5-oxoimidazolidin-1-yl]propanoate
CID 83255760
3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83252968
2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one
CID 115282036
2-(2,5-dimethylphenyl)-3-propylimidazolidin-4-one
CID 115282074
3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 114983586
3-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one
CID 83243427
2-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)imidazolidin-4-one
CID 83238434

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one?
The IUPAC name of 2-(2,4-dimethylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one (CID 83267679) is 2-(2,4-dimethylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one?
The canonical SMILES for 2-(2,4-dimethylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one is Cc1ccc(C2NCC(=O)N2Cc2cscc2C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one?
The InChIKey is KXPLVPIYZFKSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-4-5-15(12(2)6-11)17-18-7-16(20)19(17)8-14-10-21-9-13(14)3/h4-6,9-10,17-18H,7-8H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one?
2-(2,4-dimethylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one has a molecular weight of 300.43 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one is sourced from PubChem (CID 83267679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).