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

C21H26N2S — CID 16682578

IUPAC(5S)-1-(cyclohexylmethyl)-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione
SMILESS=C1NC[C@H](Cc2cccc3ccccc23)N1CC1CCCCC1
InChIInChI=1S/C21H26N2S/c24-21-22-14-19(23(21)15-16-7-2-1-3-8-16)13-18-11-6-10-17-9-4-5-12-20(17)18/h4-6,9-12,16,19H,1-3,7-8,13-15H2,(H,22,24)/t19-/m0/s1
InChIKeyLWDQYUXLCIKSPU-IBGZPJMESA-N
MW338.52 g/mol
LogP4.52
Rot. Bonds4

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

(5S)-1-(cyclohexylmethyl)-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione (PubChem CID 16682578) has the molecular formula C21H26N2S and a molecular weight of 338.52 g/mol. Its IUPAC name is (5S)-1-(cyclohexylmethyl)-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione.

Molecular Properties

Compound Name(5S)-1-(cyclohexylmethyl)-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione
PubChem CID16682578
Molecular FormulaC21H26N2S
Molecular Weight338.52 g/mol
Exact Mass338.18
IUPAC Name(5S)-1-(cyclohexylmethyl)-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione
SMILESS=C1NC[C@H](Cc2cccc3ccccc23)N1CC1CCCCC1
InChIInChI=1S/C21H26N2S/c24-21-22-14-19(23(21)15-16-7-2-1-3-8-16)13-18-11-6-10-17-9-4-5-12-20(17)18/h4-6,9-12,16,19H,1-3,7-8,13-15H2,(H,22,24)/t19-/m0/s1
InChIKeyLWDQYUXLCIKSPU-IBGZPJMESA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.52
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)-1-(cyclohexylmethyl)-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione?
The IUPAC name of (5S)-1-(cyclohexylmethyl)-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione (CID 16682578) is (5S)-1-(cyclohexylmethyl)-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione.
What is the SMILES notation for (5S)-1-(cyclohexylmethyl)-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione?
The canonical SMILES for (5S)-1-(cyclohexylmethyl)-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione is S=C1NC[C@H](Cc2cccc3ccccc23)N1CC1CCCCC1.
What is the InChIKey of (5S)-1-(cyclohexylmethyl)-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione?
The InChIKey is LWDQYUXLCIKSPU-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2S/c24-21-22-14-19(23(21)15-16-7-2-1-3-8-16)13-18-11-6-10-17-9-4-5-12-20(17)18/h4-6,9-12,16,19H,1-3,7-8,13-15H2,(H,22,24)/t19-/m0/s1.
What are the key properties of (5S)-1-(cyclohexylmethyl)-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione?
(5S)-1-(cyclohexylmethyl)-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione has a molecular weight of 338.52 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(cyclohexylmethyl)-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione is sourced from PubChem (CID 16682578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).