(5R)-3-(2,2-diphenylethyl)-5-methyl-2-sulfanylideneimidazolidin-4-one

C18H18N2OS — CID 26684421

IUPAC(5R)-3-(2,2-diphenylethyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
SMILESC[C@H]1NC(=S)N(CC(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C18H18N2OS/c1-13-17(21)20(18(22)19-13)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyYAIDQPZSPWXUSV-CYBMUJFWSA-N
MW310.42 g/mol
LogP2.92
Rot. Bonds4

About (5R)-3-(2,2-diphenylethyl)-5-methyl-2-sulfanylideneimidazolidin-4-one

(5R)-3-(2,2-diphenylethyl)-5-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 26684421) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is (5R)-3-(2,2-diphenylethyl)-5-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5R)-3-(2,2-diphenylethyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID26684421
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name(5R)-3-(2,2-diphenylethyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
SMILESC[C@H]1NC(=S)N(CC(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C18H18N2OS/c1-13-17(21)20(18(22)19-13)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyYAIDQPZSPWXUSV-CYBMUJFWSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2,2-diphenylethyl)-5-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5R)-3-(2,2-diphenylethyl)-5-methyl-2-sulfanylideneimidazolidin-4-one (CID 26684421) is (5R)-3-(2,2-diphenylethyl)-5-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5R)-3-(2,2-diphenylethyl)-5-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5R)-3-(2,2-diphenylethyl)-5-methyl-2-sulfanylideneimidazolidin-4-one is C[C@H]1NC(=S)N(CC(c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of (5R)-3-(2,2-diphenylethyl)-5-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is YAIDQPZSPWXUSV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-13-17(21)20(18(22)19-13)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (5R)-3-(2,2-diphenylethyl)-5-methyl-2-sulfanylideneimidazolidin-4-one?
(5R)-3-(2,2-diphenylethyl)-5-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 310.42 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2,2-diphenylethyl)-5-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 26684421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).