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

C18H22N2S — CID 16745910

IUPAC(5S)-1-butyl-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione
SMILESCCCCN1C(=S)NC[C@@H]1Cc1cccc2ccccc12
InChIInChI=1S/C18H22N2S/c1-2-3-11-20-16(13-19-18(20)21)12-15-9-6-8-14-7-4-5-10-17(14)15/h4-10,16H,2-3,11-13H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyMXULDCVAFRNXIE-INIZCTEOSA-N
MW298.45 g/mol
LogP3.74
Rot. Bonds5

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

(5S)-1-butyl-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione (PubChem CID 16745910) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is (5S)-1-butyl-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione.

Molecular Properties

Compound Name(5S)-1-butyl-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione
PubChem CID16745910
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC Name(5S)-1-butyl-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione
SMILESCCCCN1C(=S)NC[C@@H]1Cc1cccc2ccccc12
InChIInChI=1S/C18H22N2S/c1-2-3-11-20-16(13-19-18(20)21)12-15-9-6-8-14-7-4-5-10-17(14)15/h4-10,16H,2-3,11-13H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyMXULDCVAFRNXIE-INIZCTEOSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.74
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-butyl-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione?
The IUPAC name of (5S)-1-butyl-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione (CID 16745910) is (5S)-1-butyl-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione.
What is the SMILES notation for (5S)-1-butyl-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione?
The canonical SMILES for (5S)-1-butyl-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione is CCCCN1C(=S)NC[C@@H]1Cc1cccc2ccccc12.
What is the InChIKey of (5S)-1-butyl-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione?
The InChIKey is MXULDCVAFRNXIE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2S/c1-2-3-11-20-16(13-19-18(20)21)12-15-9-6-8-14-7-4-5-10-17(14)15/h4-10,16H,2-3,11-13H2,1H3,(H,19,21)/t16-/m0/s1.
What are the key properties of (5S)-1-butyl-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione?
(5S)-1-butyl-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione has a molecular weight of 298.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-butyl-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione is sourced from PubChem (CID 16745910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).