3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one

C15H20N2OS — CID 83250488

IUPAC3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
SMILESCSc1ccc(C2NC(C)C(=O)N2CC2CC2)cc1
InChIInChI=1S/C15H20N2OS/c1-10-15(18)17(9-11-3-4-11)14(16-10)12-5-7-13(19-2)8-6-12/h5-8,10-11,14,16H,3-4,9H2,1-2H3
InChIKeyAKEXGGIGEHASGQ-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.64
Rot. Bonds4

About 3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one

3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one (PubChem CID 83250488) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
PubChem CID83250488
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
SMILESCSc1ccc(C2NC(C)C(=O)N2CC2CC2)cc1
InChIInChI=1S/C15H20N2OS/c1-10-15(18)17(9-11-3-4-11)14(16-10)12-5-7-13(19-2)8-6-12/h5-8,10-11,14,16H,3-4,9H2,1-2H3
InChIKeyAKEXGGIGEHASGQ-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one
CID 83247502
3-(cyclopentylmethyl)-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83243594
2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one
CID 83244083
5-methyl-3-(2-methyl-3-methylsulfanylpropyl)-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83263835
3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one
CID 83243599
5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83254637
5-amino-3-(cyclopropylmethyl)-4-(4-methylsulfanylphenyl)-4H-imidazol-2-one
CID 79967171
2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83271224
3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83244061
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-5-ethylimidazolidin-4-one
CID 83251669
3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one
CID 83259017
2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one
CID 115282121

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one (CID 83250488) is 3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one is CSc1ccc(C2NC(C)C(=O)N2CC2CC2)cc1.
What is the InChIKey of 3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
The InChIKey is AKEXGGIGEHASGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10-15(18)17(9-11-3-4-11)14(16-10)12-5-7-13(19-2)8-6-12/h5-8,10-11,14,16H,3-4,9H2,1-2H3.
What are the key properties of 3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one has a molecular weight of 276.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83250488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).