(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone

C18H15F3N2OS — CID 4112635

IUPAC(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C18H15F3N2OS/c19-18(20,21)15-8-4-7-14(11-15)16(24)23-10-9-22-17(23)25-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2
InChIKeyBKMVJNOCUXMJOR-UHFFFAOYSA-N
MW364.39 g/mol
LogP4.45
Rot. Bonds3

About (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone

(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 4112635) 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)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID4112635
Molecular FormulaC18H15F3N2OS
Molecular Weight364.39 g/mol
Exact Mass364.09
IUPAC Name(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C18H15F3N2OS/c19-18(20,21)15-8-4-7-14(11-15)16(24)23-10-9-22-17(23)25-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2
InChIKeyBKMVJNOCUXMJOR-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

(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2,6-difluorophenyl)methanone
CID 4612087
1-(2-Fluorobenzoyl)-2-methylthio-2-imidazoline
CID 3236905
N-(5-tert-butyl-3-(cyclopropylmethyl)-4-methylthiazol-2(3H)-ylidene)-3-(trifluoromethyl)benzamide
CID 24779731
N-(5-tert-butyl-3,4-dimethylthiazol-2(3H)-ylidene)-3-(trifluoromethyl)benzamide
CID 44443147
N-(5-tert-butyl-3-ethyl-4-methylthiazol-2(3H)-ylidene)-3-(trifluoromethyl)benzamide
CID 44443148
N-(5-tert-butyl-4-methyl-3-propylthiazol-2(3H)-ylidene)-3-(trifluoromethyl)benzamide
CID 44443149
N-(3-(cyclopropylmethyl)-5-isopropyl-4-methylthiazol-2(3H)-ylidene)-3-(trifluoromethyl)benzamide
CID 44443153
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-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
Benzamide, N-(4,5-dihydro-2-thiazolyl)-3-(trifluoromethyl)-
CID 2676785

Frequently Asked Questions

What is the IUPAC name of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 4112635) is (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCN=C1SCc1ccccc1.
What is the InChIKey of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is BKMVJNOCUXMJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2OS/c19-18(20,21)15-8-4-7-14(11-15)16(24)23-10-9-22-17(23)25-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2.
What are the key properties of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(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)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 4112635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).