(5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one

C18H18N2O2S — CID 101259421

IUPAC(5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(CN2C(=S)N(c3ccccc3)C(=O)[C@H]2C)cc1
InChIInChI=1S/C18H18N2O2S/c1-13-17(21)20(15-6-4-3-5-7-15)18(23)19(13)12-14-8-10-16(22-2)11-9-14/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyVELKISZYGYYFLW-CYBMUJFWSA-N
MW326.42 g/mol
LogP3.22
Rot. Bonds4

About (5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one

(5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 101259421) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is (5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID101259421
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name(5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(CN2C(=S)N(c3ccccc3)C(=O)[C@H]2C)cc1
InChIInChI=1S/C18H18N2O2S/c1-13-17(21)20(15-6-4-3-5-7-15)18(23)19(13)12-14-8-10-16(22-2)11-9-14/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyVELKISZYGYYFLW-CYBMUJFWSA-N
XLogP3.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-[(4R)-3-[(4-methoxyphenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 40807784
N-(4-fluorophenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 1347932
2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 3750214
(5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-naphthalen-1-ylimidazolidine-2,4-dione
CID 101259426
N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 3140278
N-(4-methoxyphenyl)-2-[5-oxo-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 2951542
(5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 35674628
(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 10266407
3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 3653878
(5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 97046899
(5S)-1-benzyl-5-methyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 156703225
2-[(4-methoxyphenyl)methyl]-5-methylidene-4-phenyl-1,2,4-triazolidin-3-one
CID 53315131

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 101259421) is (5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one is COc1ccc(CN2C(=S)N(c3ccccc3)C(=O)[C@H]2C)cc1.
What is the InChIKey of (5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is VELKISZYGYYFLW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13-17(21)20(15-6-4-3-5-7-15)18(23)19(13)12-14-8-10-16(22-2)11-9-14/h3-11,13H,12H2,1-2H3/t13-/m1/s1.
What are the key properties of (5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
(5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 326.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 101259421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).