2-ethyl-1,3-bis(methylsulfanyl)-4,5-diphenylimidazolidine

C19H24N2S2 — CID 123934151

IUPAC2-ethyl-1,3-bis(methylsulfanyl)-4,5-diphenylimidazolidine
SMILESCCC1N(SC)C(c2ccccc2)C(c2ccccc2)N1SC
InChIInChI=1S/C19H24N2S2/c1-4-17-20(22-2)18(15-11-7-5-8-12-15)19(21(17)23-3)16-13-9-6-10-14-16/h5-14,17-19H,4H2,1-3H3
InChIKeyQWQUTDXAOQCFDB-UHFFFAOYSA-N
MW344.55 g/mol
LogP5.38
Rot. Bonds5

About 2-ethyl-1,3-bis(methylsulfanyl)-4,5-diphenylimidazolidine

2-ethyl-1,3-bis(methylsulfanyl)-4,5-diphenylimidazolidine (PubChem CID 123934151) has the molecular formula C19H24N2S2 and a molecular weight of 344.55 g/mol. Its IUPAC name is 2-ethyl-1,3-bis(methylsulfanyl)-4,5-diphenylimidazolidine.

Molecular Properties

Compound Name2-ethyl-1,3-bis(methylsulfanyl)-4,5-diphenylimidazolidine
PubChem CID123934151
Molecular FormulaC19H24N2S2
Molecular Weight344.55 g/mol
Exact Mass344.14
IUPAC Name2-ethyl-1,3-bis(methylsulfanyl)-4,5-diphenylimidazolidine
SMILESCCC1N(SC)C(c2ccccc2)C(c2ccccc2)N1SC
InChIInChI=1S/C19H24N2S2/c1-4-17-20(22-2)18(15-11-7-5-8-12-15)19(21(17)23-3)16-13-9-6-10-14-16/h5-14,17-19H,4H2,1-3H3
InChIKeyQWQUTDXAOQCFDB-UHFFFAOYSA-N
XLogP5.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.55
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-1-butyl-2,3-diphenylaziridine
CID 102330733
(2R,3R)-1-ethyl-2,3-diphenylazetidine
CID 100941432
(3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine
CID 10686939
(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)azanide
CID 162358368
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
tert-butyl N-[(2R)-1-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]butan-2-yl]carbamate
CID 102330994
(2S,3R)-2-ethyl-3-phenylthiirane
CID 134927560
1-ethyl-5-methyl-3,4-diphenylimidazolidine
CID 14143406
(2R,3R,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 124823280
(4R,5R)-1,3-bis(2,6-diethylphenyl)-4,5-diphenylimidazolidin-2-ide;palladium(2+)
CID 138970388
(3R,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one
CID 165354910
4,11-diethyl-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 2945966

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-bis(methylsulfanyl)-4,5-diphenylimidazolidine?
The IUPAC name of 2-ethyl-1,3-bis(methylsulfanyl)-4,5-diphenylimidazolidine (CID 123934151) is 2-ethyl-1,3-bis(methylsulfanyl)-4,5-diphenylimidazolidine.
What is the SMILES notation for 2-ethyl-1,3-bis(methylsulfanyl)-4,5-diphenylimidazolidine?
The canonical SMILES for 2-ethyl-1,3-bis(methylsulfanyl)-4,5-diphenylimidazolidine is CCC1N(SC)C(c2ccccc2)C(c2ccccc2)N1SC.
What is the InChIKey of 2-ethyl-1,3-bis(methylsulfanyl)-4,5-diphenylimidazolidine?
The InChIKey is QWQUTDXAOQCFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S2/c1-4-17-20(22-2)18(15-11-7-5-8-12-15)19(21(17)23-3)16-13-9-6-10-14-16/h5-14,17-19H,4H2,1-3H3.
What are the key properties of 2-ethyl-1,3-bis(methylsulfanyl)-4,5-diphenylimidazolidine?
2-ethyl-1,3-bis(methylsulfanyl)-4,5-diphenylimidazolidine has a molecular weight of 344.55 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-bis(methylsulfanyl)-4,5-diphenylimidazolidine is sourced from PubChem (CID 123934151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).