1-ethyl-2-sulfanylidene-3-(2,4,5-trimethylphenyl)imidazolidin-4-one

C14H18N2OS — CID 11357492

IUPAC1-ethyl-2-sulfanylidene-3-(2,4,5-trimethylphenyl)imidazolidin-4-one
SMILESCCN1CC(=O)N(c2cc(C)c(C)cc2C)C1=S
InChIInChI=1S/C14H18N2OS/c1-5-15-8-13(17)16(14(15)18)12-7-10(3)9(2)6-11(12)4/h6-7H,5,8H2,1-4H3
InChIKeyLOYBBTWIKKIMSB-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.57
Rot. Bonds2

About 1-ethyl-2-sulfanylidene-3-(2,4,5-trimethylphenyl)imidazolidin-4-one

1-ethyl-2-sulfanylidene-3-(2,4,5-trimethylphenyl)imidazolidin-4-one (PubChem CID 11357492) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-ethyl-2-sulfanylidene-3-(2,4,5-trimethylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-ethyl-2-sulfanylidene-3-(2,4,5-trimethylphenyl)imidazolidin-4-one
PubChem CID11357492
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-ethyl-2-sulfanylidene-3-(2,4,5-trimethylphenyl)imidazolidin-4-one
SMILESCCN1CC(=O)N(c2cc(C)c(C)cc2C)C1=S
InChIInChI=1S/C14H18N2OS/c1-5-15-8-13(17)16(14(15)18)12-7-10(3)9(2)6-11(12)4/h6-7H,5,8H2,1-4H3
InChIKeyLOYBBTWIKKIMSB-UHFFFAOYSA-N
XLogP2.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethylphenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one
CID 11402401
3-(2,4-dichlorophenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one
CID 19425383
3-(5-chloro-2-methylphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one
CID 4581172
methyl 3-[3-(4-chloro-2-methylphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]propanoate
CID 11347982
3-(5-chloro-2-methylphenyl)-1-methoxy-2-sulfanylideneimidazolidin-4-one
CID 11334740
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 3276658
1-benzyl-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 4065112
1-ethyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one;1-ethyl-3-propan-2-yl-4-sulfanylideneimidazolidin-2-one
CID 161355808
1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one
CID 117013590
ethyl 4-[3-[(3-methylthiophen-2-yl)methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 4187950
4-ethyl-6,7-dimethyl-2,3-dihydro-1H-quinoxaline
CID 82156538
1,3-bis(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2798623

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-sulfanylidene-3-(2,4,5-trimethylphenyl)imidazolidin-4-one?
The IUPAC name of 1-ethyl-2-sulfanylidene-3-(2,4,5-trimethylphenyl)imidazolidin-4-one (CID 11357492) is 1-ethyl-2-sulfanylidene-3-(2,4,5-trimethylphenyl)imidazolidin-4-one.
What is the SMILES notation for 1-ethyl-2-sulfanylidene-3-(2,4,5-trimethylphenyl)imidazolidin-4-one?
The canonical SMILES for 1-ethyl-2-sulfanylidene-3-(2,4,5-trimethylphenyl)imidazolidin-4-one is CCN1CC(=O)N(c2cc(C)c(C)cc2C)C1=S.
What is the InChIKey of 1-ethyl-2-sulfanylidene-3-(2,4,5-trimethylphenyl)imidazolidin-4-one?
The InChIKey is LOYBBTWIKKIMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-5-15-8-13(17)16(14(15)18)12-7-10(3)9(2)6-11(12)4/h6-7H,5,8H2,1-4H3.
What are the key properties of 1-ethyl-2-sulfanylidene-3-(2,4,5-trimethylphenyl)imidazolidin-4-one?
1-ethyl-2-sulfanylidene-3-(2,4,5-trimethylphenyl)imidazolidin-4-one has a molecular weight of 262.38 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-sulfanylidene-3-(2,4,5-trimethylphenyl)imidazolidin-4-one is sourced from PubChem (CID 11357492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).