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

C22H22N2S — CID 16745443

IUPAC(5S)-5-benzyl-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione
SMILESS=C1NC[C@H](Cc2ccccc2)N1CCc1cccc2ccccc12
InChIInChI=1S/C22H22N2S/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/h1-12,20H,13-16H2,(H,23,25)/t20-/m0/s1
InChIKeyAAQAWYFTVFRUML-FQEVSTJZSA-N
MW346.50 g/mol
LogP4.18
Rot. Bonds5

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

(5S)-5-benzyl-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione (PubChem CID 16745443) has the molecular formula C22H22N2S and a molecular weight of 346.50 g/mol. Its IUPAC name is (5S)-5-benzyl-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione.

Molecular Properties

Compound Name(5S)-5-benzyl-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione
PubChem CID16745443
Molecular FormulaC22H22N2S
Molecular Weight346.50 g/mol
Exact Mass346.15
IUPAC Name(5S)-5-benzyl-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione
SMILESS=C1NC[C@H](Cc2ccccc2)N1CCc1cccc2ccccc12
InChIInChI=1S/C22H22N2S/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/h1-12,20H,13-16H2,(H,23,25)/t20-/m0/s1
InChIKeyAAQAWYFTVFRUML-FQEVSTJZSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.18
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-benzyl-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione?
The IUPAC name of (5S)-5-benzyl-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione (CID 16745443) is (5S)-5-benzyl-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione.
What is the SMILES notation for (5S)-5-benzyl-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione?
The canonical SMILES for (5S)-5-benzyl-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione is S=C1NC[C@H](Cc2ccccc2)N1CCc1cccc2ccccc12.
What is the InChIKey of (5S)-5-benzyl-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione?
The InChIKey is AAQAWYFTVFRUML-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N2S/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/h1-12,20H,13-16H2,(H,23,25)/t20-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione?
(5S)-5-benzyl-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione has a molecular weight of 346.50 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione is sourced from PubChem (CID 16745443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).