(2R)-1-[(4R,5S)-4,5-diphenyl-2-sulfanylideneimidazolidin-1-yl]-2-phenylpropan-1-one

C24H22N2OS — CID 102171962

IUPAC(2R)-1-[(4R,5S)-4,5-diphenyl-2-sulfanylideneimidazolidin-1-yl]-2-phenylpropan-1-one
SMILESC[C@@H](C(=O)N1C(=S)N[C@H](c2ccccc2)[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2OS/c1-17(18-11-5-2-6-12-18)23(27)26-22(20-15-9-4-10-16-20)21(25-24(26)28)19-13-7-3-8-14-19/h2-17,21-22H,1H3,(H,25,28)/t17-,21-,22+/m1/s1
InChIKeyTXFYXXAZUBRCBP-YHYVQYDKSA-N
MW386.52 g/mol
LogP4.99
Rot. Bonds4

About (2R)-1-[(4R,5S)-4,5-diphenyl-2-sulfanylideneimidazolidin-1-yl]-2-phenylpropan-1-one

(2R)-1-[(4R,5S)-4,5-diphenyl-2-sulfanylideneimidazolidin-1-yl]-2-phenylpropan-1-one (PubChem CID 102171962) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is (2R)-1-[(4R,5S)-4,5-diphenyl-2-sulfanylideneimidazolidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(4R,5S)-4,5-diphenyl-2-sulfanylideneimidazolidin-1-yl]-2-phenylpropan-1-one
PubChem CID102171962
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC Name(2R)-1-[(4R,5S)-4,5-diphenyl-2-sulfanylideneimidazolidin-1-yl]-2-phenylpropan-1-one
SMILESC[C@@H](C(=O)N1C(=S)N[C@H](c2ccccc2)[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2OS/c1-17(18-11-5-2-6-12-18)23(27)26-22(20-15-9-4-10-16-20)21(25-24(26)28)19-13-7-3-8-14-19/h2-17,21-22H,1H3,(H,25,28)/t17-,21-,22+/m1/s1
InChIKeyTXFYXXAZUBRCBP-YHYVQYDKSA-N
XLogP4.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(4R,5R)-4,5-diphenyl-2-sulfanylideneimidazolidin-1-yl] acetate
CID 100936892
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
(4S,5S)-1-methyl-4,5-diphenylimidazolidin-2-one
CID 11831915
[(4S,5S)-2-ethylimino-4,5-diphenylimidazolidin-1-yl]-phenylmethanone
CID 135461865
2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
4-(2-phenylpropanoyl)piperazine-1-carboxylic acid
CID 123978290
(2R)-1-cyclohexyl-2-phenylpropan-1-one
CID 138970657
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4R,5S)-4,5-diphenyl-2-sulfanylideneimidazolidin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of (2R)-1-[(4R,5S)-4,5-diphenyl-2-sulfanylideneimidazolidin-1-yl]-2-phenylpropan-1-one (CID 102171962) is (2R)-1-[(4R,5S)-4,5-diphenyl-2-sulfanylideneimidazolidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for (2R)-1-[(4R,5S)-4,5-diphenyl-2-sulfanylideneimidazolidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for (2R)-1-[(4R,5S)-4,5-diphenyl-2-sulfanylideneimidazolidin-1-yl]-2-phenylpropan-1-one is C[C@@H](C(=O)N1C(=S)N[C@H](c2ccccc2)[C@@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-[(4R,5S)-4,5-diphenyl-2-sulfanylideneimidazolidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is TXFYXXAZUBRCBP-YHYVQYDKSA-N. The full InChI is InChI=1S/C24H22N2OS/c1-17(18-11-5-2-6-12-18)23(27)26-22(20-15-9-4-10-16-20)21(25-24(26)28)19-13-7-3-8-14-19/h2-17,21-22H,1H3,(H,25,28)/t17-,21-,22+/m1/s1.
What are the key properties of (2R)-1-[(4R,5S)-4,5-diphenyl-2-sulfanylideneimidazolidin-1-yl]-2-phenylpropan-1-one?
(2R)-1-[(4R,5S)-4,5-diphenyl-2-sulfanylideneimidazolidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 386.52 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4R,5S)-4,5-diphenyl-2-sulfanylideneimidazolidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 102171962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).