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

C16H18N2OS — CID 83271425

IUPAC2-(4-methylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2Cc2cscc2C)cc1
InChIInChI=1S/C16H18N2OS/c1-11-3-5-13(6-4-11)16-17-7-15(19)18(16)8-14-10-20-9-12(14)2/h3-6,9-10,16-17H,7-8H2,1-2H3
InChIKeyVWSDWIPOGICFNA-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.00
Rot. Bonds3

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

2-(4-methylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one (PubChem CID 83271425) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one
PubChem CID83271425
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-(4-methylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2Cc2cscc2C)cc1
InChIInChI=1S/C16H18N2OS/c1-11-3-5-13(6-4-11)16-17-7-15(19)18(16)8-14-10-20-9-12(14)2/h3-6,9-10,16-17H,7-8H2,1-2H3
InChIKeyVWSDWIPOGICFNA-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one
CID 83267679
3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83238354
2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257494
2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259867
5-methyl-6-[(4-methylthiophen-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83271018
3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83253672
2-cyclopentyl-5-methyl-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one
CID 83271179
3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one
CID 83256551
3-[(4-methylthiophen-3-yl)methyl]-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83267709
2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83256040
2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one
CID 83256713
3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 115282048

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one?
The IUPAC name of 2-(4-methylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one (CID 83271425) is 2-(4-methylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one?
The canonical SMILES for 2-(4-methylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one is Cc1ccc(C2NCC(=O)N2Cc2cscc2C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one?
The InChIKey is VWSDWIPOGICFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-3-5-13(6-4-11)16-17-7-15(19)18(16)8-14-10-20-9-12(14)2/h3-6,9-10,16-17H,7-8H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one?
2-(4-methylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one has a molecular weight of 286.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one is sourced from PubChem (CID 83271425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).