1-(4-cyclohexylbutyl)-5-(cyclohexylmethyl)imidazolidine-2-thione

C20H36N2S — CID 73307570

IUPAC1-(4-cyclohexylbutyl)-5-(cyclohexylmethyl)imidazolidine-2-thione
SMILESS=C1NCC(CC2CCCCC2)N1CCCCC1CCCCC1
InChIInChI=1S/C20H36N2S/c23-20-21-16-19(15-18-12-5-2-6-13-18)22(20)14-8-7-11-17-9-3-1-4-10-17/h17-19H,1-16H2,(H,21,23)
InChIKeyGMAAOHUBPTUOMJ-UHFFFAOYSA-N
MW336.59 g/mol
LogP5.27
Rot. Bonds7

About 1-(4-cyclohexylbutyl)-5-(cyclohexylmethyl)imidazolidine-2-thione

1-(4-cyclohexylbutyl)-5-(cyclohexylmethyl)imidazolidine-2-thione (PubChem CID 73307570) has the molecular formula C20H36N2S and a molecular weight of 336.59 g/mol. Its IUPAC name is 1-(4-cyclohexylbutyl)-5-(cyclohexylmethyl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-(4-cyclohexylbutyl)-5-(cyclohexylmethyl)imidazolidine-2-thione
PubChem CID73307570
Molecular FormulaC20H36N2S
Molecular Weight336.59 g/mol
Exact Mass336.26
IUPAC Name1-(4-cyclohexylbutyl)-5-(cyclohexylmethyl)imidazolidine-2-thione
SMILESS=C1NCC(CC2CCCCC2)N1CCCCC1CCCCC1
InChIInChI=1S/C20H36N2S/c23-20-21-16-19(15-18-12-5-2-6-13-18)22(20)14-8-7-11-17-9-3-1-4-10-17/h17-19H,1-16H2,(H,21,23)
InChIKeyGMAAOHUBPTUOMJ-UHFFFAOYSA-N
XLogP5.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.27
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

(4S)-1-[4-[(4S)-3-(4-cyclohexylbutyl)-2-iminoimidazolidin-4-yl]butyl]-4-(cyclohexylmethyl)-3-heptylimidazolidin-2-imine;sulfane
CID 176535556
1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane
CID 168781110
4-cyclopentylbutylcyclohexane
CID 144547696
1-(cyclohexylmethyl)-4-[4-[(2R)-1-(cyclohexylmethyl)-5,6-dioxopiperazin-2-yl]butyl]piperazine-2,3-dione
CID 53301784
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
(4S)-1-[4-[(4S)-3-(4-cyclohexylbutyl)-2-iminoimidazolidin-4-yl]butyl]-3-heptyl-4-[(3-methylcyclohexyl)methyl]imidazolidin-2-imine
CID 176526870
1-(3-cyclohexylpropyl)piperidine
CID 21333467
(6R)-1-(2-cyclohexylethyl)-6-(hydroxymethyl)piperazine-2,3-dione
CID 101032955
3-cyclobutylpropylcyclohexane
CID 54165208
1-(6-cyclobutylhexyl)azetidine
CID 139396339
(5S)-1-[4-[(2S)-1-(2-cyclohexylethyl)-5,6-dioxopiperazin-2-yl]butyl]-4-(cyclohexylmethyl)-5-(2-methylpropyl)piperazine-2,3-dione
CID 53299703
(5S)-4-(cyclohexylmethyl)-1-[4-[(2R)-1-(cyclohexylmethyl)-5,6-dioxopiperazin-2-yl]butyl]-5-(2-methylpropyl)piperazine-2,3-dione
CID 53301774

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylbutyl)-5-(cyclohexylmethyl)imidazolidine-2-thione?
The IUPAC name of 1-(4-cyclohexylbutyl)-5-(cyclohexylmethyl)imidazolidine-2-thione (CID 73307570) is 1-(4-cyclohexylbutyl)-5-(cyclohexylmethyl)imidazolidine-2-thione.
What is the SMILES notation for 1-(4-cyclohexylbutyl)-5-(cyclohexylmethyl)imidazolidine-2-thione?
The canonical SMILES for 1-(4-cyclohexylbutyl)-5-(cyclohexylmethyl)imidazolidine-2-thione is S=C1NCC(CC2CCCCC2)N1CCCCC1CCCCC1.
What is the InChIKey of 1-(4-cyclohexylbutyl)-5-(cyclohexylmethyl)imidazolidine-2-thione?
The InChIKey is GMAAOHUBPTUOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2S/c23-20-21-16-19(15-18-12-5-2-6-13-18)22(20)14-8-7-11-17-9-3-1-4-10-17/h17-19H,1-16H2,(H,21,23).
What are the key properties of 1-(4-cyclohexylbutyl)-5-(cyclohexylmethyl)imidazolidine-2-thione?
1-(4-cyclohexylbutyl)-5-(cyclohexylmethyl)imidazolidine-2-thione has a molecular weight of 336.59 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylbutyl)-5-(cyclohexylmethyl)imidazolidine-2-thione is sourced from PubChem (CID 73307570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).