[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2,6-difluorophenyl)methanone

C17H12ClF3N2OS — CID 3605099

IUPAC[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCN=C1SCc1c(F)cccc1Cl
InChIInChI=1S/C17H12ClF3N2OS/c18-11-3-1-4-12(19)10(11)9-25-17-22-7-8-23(17)16(24)15-13(20)5-2-6-14(15)21/h1-6H,7-9H2
InChIKeyGWJIAVWCYGZRRQ-UHFFFAOYSA-N
MW384.81 g/mol
LogP4.50
Rot. Bonds3

About [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2,6-difluorophenyl)methanone

[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2,6-difluorophenyl)methanone (PubChem CID 3605099) has the molecular formula C17H12ClF3N2OS and a molecular weight of 384.81 g/mol. Its IUPAC name is [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2,6-difluorophenyl)methanone
PubChem CID3605099
Molecular FormulaC17H12ClF3N2OS
Molecular Weight384.81 g/mol
Exact Mass384.03
IUPAC Name[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCN=C1SCc1c(F)cccc1Cl
InChIInChI=1S/C17H12ClF3N2OS/c18-11-3-1-4-12(19)10(11)9-25-17-22-7-8-23(17)16(24)15-13(20)5-2-6-14(15)21/h1-6H,7-9H2
InChIKeyGWJIAVWCYGZRRQ-UHFFFAOYSA-N
XLogP4.50
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.81
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2,6-difluorophenyl)methanone with MolForge

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Related Compounds

(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2,6-difluorophenyl)methanone
CID 4612087
N-[4-(2-chlorophenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide
CID 73669676
(2-chloro-6-fluorophenyl)(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 3236434
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-N-(4-fluorobenzoyl)benzamide
CID 744046
[2-[(2-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 3366344
1-[2-[(3-Chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone
CID 3412000
4-(2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazole-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 3669070
(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 4057190
2-(4-Chlorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4081040
(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 4112635
(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(4-(trifluoromethyl)phenyl)methanone
CID 4114095
(2-Fluorophenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4141117

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2,6-difluorophenyl)methanone (CID 3605099) is [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2,6-difluorophenyl)methanone is O=C(c1c(F)cccc1F)N1CCN=C1SCc1c(F)cccc1Cl.
What is the InChIKey of [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is GWJIAVWCYGZRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2OS/c18-11-3-1-4-12(19)10(11)9-25-17-22-7-8-23(17)16(24)15-13(20)5-2-6-14(15)21/h1-6H,7-9H2.
What are the key properties of [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2,6-difluorophenyl)methanone?
[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 384.81 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 3605099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).