3-(2-morpholin-4-ylethyl)-5-phenyl-1H-imidazole-2-thione

C15H19N3OS — CID 24965733

IUPAC3-(2-morpholin-4-ylethyl)-5-phenyl-1H-imidazole-2-thione
SMILESS=c1[nH]c(-c2ccccc2)cn1CCN1CCOCC1
InChIInChI=1S/C15H19N3OS/c20-15-16-14(13-4-2-1-3-5-13)12-18(15)7-6-17-8-10-19-11-9-17/h1-5,12H,6-11H2,(H,16,20)
InChIKeyKKLKPWNHAGHKCO-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.54
Rot. Bonds4

About 3-(2-morpholin-4-ylethyl)-5-phenyl-1H-imidazole-2-thione

3-(2-morpholin-4-ylethyl)-5-phenyl-1H-imidazole-2-thione (PubChem CID 24965733) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-5-phenyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-5-phenyl-1H-imidazole-2-thione
PubChem CID24965733
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-(2-morpholin-4-ylethyl)-5-phenyl-1H-imidazole-2-thione
SMILESS=c1[nH]c(-c2ccccc2)cn1CCN1CCOCC1
InChIInChI=1S/C15H19N3OS/c20-15-16-14(13-4-2-1-3-5-13)12-18(15)7-6-17-8-10-19-11-9-17/h1-5,12H,6-11H2,(H,16,20)
InChIKeyKKLKPWNHAGHKCO-UHFFFAOYSA-N
XLogP2.54
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-(2-morpholin-4-ylethyl)-5-phenyl-1H-imidazole-2-thione?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-5-phenyl-1H-imidazole-2-thione (CID 24965733) is 3-(2-morpholin-4-ylethyl)-5-phenyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-5-phenyl-1H-imidazole-2-thione?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-5-phenyl-1H-imidazole-2-thione is S=c1[nH]c(-c2ccccc2)cn1CCN1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-5-phenyl-1H-imidazole-2-thione?
The InChIKey is KKLKPWNHAGHKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c20-15-16-14(13-4-2-1-3-5-13)12-18(15)7-6-17-8-10-19-11-9-17/h1-5,12H,6-11H2,(H,16,20).
What are the key properties of 3-(2-morpholin-4-ylethyl)-5-phenyl-1H-imidazole-2-thione?
3-(2-morpholin-4-ylethyl)-5-phenyl-1H-imidazole-2-thione has a molecular weight of 289.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-5-phenyl-1H-imidazole-2-thione is sourced from PubChem (CID 24965733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).