(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2,6-difluorophenyl)methanone

C17H14F2N2OS — CID 4612087

IUPAC(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C17H14F2N2OS/c18-13-7-4-8-14(19)15(13)16(22)21-10-9-20-17(21)23-11-12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyDRRPHSIVAZTANT-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.71
Rot. Bonds3

About (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2,6-difluorophenyl)methanone

(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2,6-difluorophenyl)methanone (PubChem CID 4612087) has the molecular formula C17H14F2N2OS and a molecular weight of 332.38 g/mol. Its IUPAC name is (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2,6-difluorophenyl)methanone
PubChem CID4612087
Molecular FormulaC17H14F2N2OS
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C17H14F2N2OS/c18-13-7-4-8-14(19)15(13)16(22)21-10-9-20-17(21)23-11-12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyDRRPHSIVAZTANT-UHFFFAOYSA-N
XLogP3.71
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 821560
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 745463
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-methyl-2-oxoethyl]-4-fluorobenzamide
CID 3827619
1-(2-Fluorobenzoyl)-2-methylthio-2-imidazoline
CID 3236905
N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
CID 12514894
N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
CID 73669182
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
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 924634
(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
(2-fluorophenyl)(2-phenyl-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 801421

Frequently Asked Questions

What is the IUPAC name of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2,6-difluorophenyl)methanone?
The IUPAC name of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2,6-difluorophenyl)methanone (CID 4612087) is (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2,6-difluorophenyl)methanone.
What is the SMILES notation for (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2,6-difluorophenyl)methanone?
The canonical SMILES for (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2,6-difluorophenyl)methanone is O=C(c1c(F)cccc1F)N1CCN=C1SCc1ccccc1.
What is the InChIKey of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2,6-difluorophenyl)methanone?
The InChIKey is DRRPHSIVAZTANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2OS/c18-13-7-4-8-14(19)15(13)16(22)21-10-9-20-17(21)23-11-12-5-2-1-3-6-12/h1-8H,9-11H2.
What are the key properties of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2,6-difluorophenyl)methanone?
(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2,6-difluorophenyl)methanone has a molecular weight of 332.38 g/mol, XLogP of 3.71, 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)-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 4612087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).