1-[(3-chlorophenyl)methyl]-5-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one

C15H19ClN2OS — CID 46180019

IUPAC1-[(3-chlorophenyl)methyl]-5-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)CC1(C)C(=O)NC(=S)N1Cc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2OS/c1-10(2)8-15(3)13(19)17-14(20)18(15)9-11-5-4-6-12(16)7-11/h4-7,10H,8-9H2,1-3H3,(H,17,19,20)
InChIKeyGPYOCMZVTRBMRH-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.36
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-5-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one

1-[(3-chlorophenyl)methyl]-5-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 46180019) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-5-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-5-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID46180019
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name1-[(3-chlorophenyl)methyl]-5-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)CC1(C)C(=O)NC(=S)N1Cc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2OS/c1-10(2)8-15(3)13(19)17-14(20)18(15)9-11-5-4-6-12(16)7-11/h4-7,10H,8-9H2,1-3H3,(H,17,19,20)
InChIKeyGPYOCMZVTRBMRH-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[(3-chlorophenyl)methyl]-5-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-chlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64880110
3-[(3-chlorophenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one
CID 135974496
3-[(3-chlorophenyl)methyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 17394339
6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64874117
3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 30551380
1-[(3-chlorophenyl)methyl]-2-sulfanylidenepyrimidin-4-one
CID 62533456
1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 64848563
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 810308
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 46641069
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
CID 712735
5-(2-chlorophenyl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3894846

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-5-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-5-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one (CID 46180019) is 1-[(3-chlorophenyl)methyl]-5-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-5-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-5-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one is CC(C)CC1(C)C(=O)NC(=S)N1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-5-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is GPYOCMZVTRBMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-10(2)8-15(3)13(19)17-14(20)18(15)9-11-5-4-6-12(16)7-11/h4-7,10H,8-9H2,1-3H3,(H,17,19,20).
What are the key properties of 1-[(3-chlorophenyl)methyl]-5-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one?
1-[(3-chlorophenyl)methyl]-5-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 310.85 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-5-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 46180019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).