(5S)-1-(4-cyclohexylbutyl)-5-phenylimidazolidine-2-thione

C19H28N2S — CID 16682577

IUPAC(5S)-1-(4-cyclohexylbutyl)-5-phenylimidazolidine-2-thione
SMILESS=C1NC[C@H](c2ccccc2)N1CCCCC1CCCCC1
InChIInChI=1S/C19H28N2S/c22-19-20-15-18(17-12-5-2-6-13-17)21(19)14-8-7-11-16-9-3-1-4-10-16/h2,5-6,12-13,16,18H,1,3-4,7-11,14-15H2,(H,20,22)/t18-/m1/s1
InChIKeyGUOBUCYMINOGNV-GOSISDBHSA-N
MW316.51 g/mol
LogP4.67
Rot. Bonds6

About (5S)-1-(4-cyclohexylbutyl)-5-phenylimidazolidine-2-thione

(5S)-1-(4-cyclohexylbutyl)-5-phenylimidazolidine-2-thione (PubChem CID 16682577) has the molecular formula C19H28N2S and a molecular weight of 316.51 g/mol. Its IUPAC name is (5S)-1-(4-cyclohexylbutyl)-5-phenylimidazolidine-2-thione.

Molecular Properties

Compound Name(5S)-1-(4-cyclohexylbutyl)-5-phenylimidazolidine-2-thione
PubChem CID16682577
Molecular FormulaC19H28N2S
Molecular Weight316.51 g/mol
Exact Mass316.20
IUPAC Name(5S)-1-(4-cyclohexylbutyl)-5-phenylimidazolidine-2-thione
SMILESS=C1NC[C@H](c2ccccc2)N1CCCCC1CCCCC1
InChIInChI=1S/C19H28N2S/c22-19-20-15-18(17-12-5-2-6-13-17)21(19)14-8-7-11-16-9-3-1-4-10-16/h2,5-6,12-13,16,18H,1,3-4,7-11,14-15H2,(H,20,22)/t18-/m1/s1
InChIKeyGUOBUCYMINOGNV-GOSISDBHSA-N
XLogP4.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Dibenzylthiourea
CID 838375
Tpi 1361-17
CID 11305934
1,1-Dibenzyl-3-prop-2-en-1-ylthiourea
CID 1552103
1-Benzyl-3-cyclohexyl-1-propan-2-ylthiourea
CID 714760
4-benzyl-N-(propan-2-yl)piperidine-1-carbothioamide
CID 715267
1-Benzyl-5-phenethyl-1,3,5-triazinane-2-thione
CID 751710
5-Benzyl-1-cyclohexyl-1,3,5-triazinane-2-thione
CID 3546588
1-Cyclohexyl-3-(1-phenyl-ethyl)-thiourea
CID 2788079
4,6-Diphenyl-1,2,3,4-tetrahydropyrimidine-2-thione
CID 2725891
N,N'-Dibenzyl-3-aminopyrrolidine
CID 14098325
N-benzyl-4-cyclohexylpiperazine-1-carbothioamide
CID 1245477
4-cyclohexyl-N-(2-phenylethyl)-1-piperazinecarbothioamide
CID 1247374

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(4-cyclohexylbutyl)-5-phenylimidazolidine-2-thione?
The IUPAC name of (5S)-1-(4-cyclohexylbutyl)-5-phenylimidazolidine-2-thione (CID 16682577) is (5S)-1-(4-cyclohexylbutyl)-5-phenylimidazolidine-2-thione.
What is the SMILES notation for (5S)-1-(4-cyclohexylbutyl)-5-phenylimidazolidine-2-thione?
The canonical SMILES for (5S)-1-(4-cyclohexylbutyl)-5-phenylimidazolidine-2-thione is S=C1NC[C@H](c2ccccc2)N1CCCCC1CCCCC1.
What is the InChIKey of (5S)-1-(4-cyclohexylbutyl)-5-phenylimidazolidine-2-thione?
The InChIKey is GUOBUCYMINOGNV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28N2S/c22-19-20-15-18(17-12-5-2-6-13-17)21(19)14-8-7-11-16-9-3-1-4-10-16/h2,5-6,12-13,16,18H,1,3-4,7-11,14-15H2,(H,20,22)/t18-/m1/s1.
What are the key properties of (5S)-1-(4-cyclohexylbutyl)-5-phenylimidazolidine-2-thione?
(5S)-1-(4-cyclohexylbutyl)-5-phenylimidazolidine-2-thione has a molecular weight of 316.51 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(4-cyclohexylbutyl)-5-phenylimidazolidine-2-thione is sourced from PubChem (CID 16682577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).