(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone

C18H15F3N2OS — CID 4114095

IUPAC(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C18H15F3N2OS/c19-18(20,21)15-8-6-14(7-9-15)16(24)23-11-10-22-17(23)25-12-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyOMYPEEWQIYFOCD-UHFFFAOYSA-N
MW364.39 g/mol
LogP4.45
Rot. Bonds3

About (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone

(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 4114095) has the molecular formula C18H15F3N2OS and a molecular weight of 364.39 g/mol. Its IUPAC name is (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID4114095
Molecular FormulaC18H15F3N2OS
Molecular Weight364.39 g/mol
Exact Mass364.09
IUPAC Name(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C18H15F3N2OS/c19-18(20,21)15-8-6-14(7-9-15)16(24)23-11-10-22-17(23)25-12-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyOMYPEEWQIYFOCD-UHFFFAOYSA-N
XLogP4.45
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 2402452
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 745463
(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2,6-difluorophenyl)methanone
CID 4612087
4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
CID 3757861
1-(2-Fluorobenzoyl)-2-methylthio-2-imidazoline
CID 3236905
N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
CID 73669182
N-[4-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-1,3-thiazol-2-ylidene]benzamide
CID 73669851
N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 73669854
N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide
CID 102273912
(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(p-tolyl)methanone
CID 3450649
1-(2,6-difluorobenzoyl)-2-(methylthio)-4,5-dihydro-1H-imidazole
CID 3243830
N-(4-phenyl-3-prop-2-ynyl-1,3-thiazol-2-ylidene)benzamide
CID 118389687

Frequently Asked Questions

What is the IUPAC name of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 4114095) is (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCN=C1SCc1ccccc1.
What is the InChIKey of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is OMYPEEWQIYFOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2OS/c19-18(20,21)15-8-6-14(7-9-15)16(24)23-11-10-22-17(23)25-12-13-4-2-1-3-5-13/h1-9H,10-12H2.
What are the key properties of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 364.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 4114095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).