(5S)-5-(cyclohexylmethyl)-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione

C22H28N2S — CID 16682601

IUPAC(5S)-5-(cyclohexylmethyl)-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione
SMILESS=C1NC[C@H](CC2CCCCC2)N1CCc1cccc2ccccc12
InChIInChI=1S/C22H28N2S/c25-22-23-16-20(15-17-7-2-1-3-8-17)24(22)14-13-19-11-6-10-18-9-4-5-12-21(18)19/h4-6,9-12,17,20H,1-3,7-8,13-16H2,(H,23,25)/t20-/m0/s1
InChIKeyCLASAYRVNJFDTB-FQEVSTJZSA-N
MW352.55 g/mol
LogP4.91
Rot. Bonds5

About (5S)-5-(cyclohexylmethyl)-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione

(5S)-5-(cyclohexylmethyl)-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione (PubChem CID 16682601) has the molecular formula C22H28N2S and a molecular weight of 352.55 g/mol. Its IUPAC name is (5S)-5-(cyclohexylmethyl)-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione.

Molecular Properties

Compound Name(5S)-5-(cyclohexylmethyl)-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione
PubChem CID16682601
Molecular FormulaC22H28N2S
Molecular Weight352.55 g/mol
Exact Mass352.20
IUPAC Name(5S)-5-(cyclohexylmethyl)-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione
SMILESS=C1NC[C@H](CC2CCCCC2)N1CCc1cccc2ccccc12
InChIInChI=1S/C22H28N2S/c25-22-23-16-20(15-17-7-2-1-3-8-17)24(22)14-13-19-11-6-10-18-9-4-5-12-21(18)19/h4-6,9-12,17,20H,1-3,7-8,13-16H2,(H,23,25)/t20-/m0/s1
InChIKeyCLASAYRVNJFDTB-FQEVSTJZSA-N
XLogP4.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (5S)-5-(cyclohexylmethyl)-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione?
The IUPAC name of (5S)-5-(cyclohexylmethyl)-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione (CID 16682601) is (5S)-5-(cyclohexylmethyl)-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione.
What is the SMILES notation for (5S)-5-(cyclohexylmethyl)-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione?
The canonical SMILES for (5S)-5-(cyclohexylmethyl)-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione is S=C1NC[C@H](CC2CCCCC2)N1CCc1cccc2ccccc12.
What is the InChIKey of (5S)-5-(cyclohexylmethyl)-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione?
The InChIKey is CLASAYRVNJFDTB-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H28N2S/c25-22-23-16-20(15-17-7-2-1-3-8-17)24(22)14-13-19-11-6-10-18-9-4-5-12-21(18)19/h4-6,9-12,17,20H,1-3,7-8,13-16H2,(H,23,25)/t20-/m0/s1.
What are the key properties of (5S)-5-(cyclohexylmethyl)-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione?
(5S)-5-(cyclohexylmethyl)-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione has a molecular weight of 352.55 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(cyclohexylmethyl)-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione is sourced from PubChem (CID 16682601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).