5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one

C17H24N2OS — CID 83266966

IUPAC5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESCc1ccc(C2NC(C)C(=O)N2CC2CCCCS2)cc1
InChIInChI=1S/C17H24N2OS/c1-12-6-8-14(9-7-12)16-18-13(2)17(20)19(16)11-15-5-3-4-10-21-15/h6-9,13,15-16,18H,3-5,10-11H2,1-2H3
InChIKeyLZJXBQCYPBVAPO-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.10
Rot. Bonds3

About 5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one

5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one (PubChem CID 83266966) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one
PubChem CID83266966
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESCc1ccc(C2NC(C)C(=O)N2CC2CCCCS2)cc1
InChIInChI=1S/C17H24N2OS/c1-12-6-8-14(9-7-12)16-18-13(2)17(20)19(16)11-15-5-3-4-10-21-15/h6-9,13,15-16,18H,3-5,10-11H2,1-2H3
InChIKeyLZJXBQCYPBVAPO-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83266975
2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83271224
3-(cyclopentylmethyl)-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83243594
2-(2-fluorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83266971
5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83254637
2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83269990
2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one
CID 83244083
3-cyclopentyl-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83243189
3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one
CID 83243599
2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one
CID 83247502
3-(2-ethoxyethyl)-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83236973
3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83250488

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one (CID 83266966) is 5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one is Cc1ccc(C2NC(C)C(=O)N2CC2CCCCS2)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one?
The InChIKey is LZJXBQCYPBVAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-12-6-8-14(9-7-12)16-18-13(2)17(20)19(16)11-15-5-3-4-10-21-15/h6-9,13,15-16,18H,3-5,10-11H2,1-2H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one?
5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one has a molecular weight of 304.46 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83266966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).