2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(4-fluorophenyl)imidazole

C16H11ClF2N2S — CID 141278011

IUPAC2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(4-fluorophenyl)imidazole
SMILESFc1ccc(-n2ccnc2SCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H11ClF2N2S/c17-15-9-13(19)2-1-11(15)10-22-16-20-7-8-21(16)14-5-3-12(18)4-6-14/h1-9H,10H2
InChIKeyKZVYEFPKVUWDNL-UHFFFAOYSA-N
MW336.79 g/mol
LogP5.10
Rot. Bonds4

About 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(4-fluorophenyl)imidazole

2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(4-fluorophenyl)imidazole (PubChem CID 141278011) has the molecular formula C16H11ClF2N2S and a molecular weight of 336.79 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(4-fluorophenyl)imidazole.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(4-fluorophenyl)imidazole
PubChem CID141278011
Molecular FormulaC16H11ClF2N2S
Molecular Weight336.79 g/mol
Exact Mass336.03
IUPAC Name2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(4-fluorophenyl)imidazole
SMILESFc1ccc(-n2ccnc2SCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H11ClF2N2S/c17-15-9-13(19)2-1-11(15)10-22-16-20-7-8-21(16)14-5-3-12(18)4-6-14/h1-9H,10H2
InChIKeyKZVYEFPKVUWDNL-UHFFFAOYSA-N
XLogP5.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.79
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol
CID 82129775
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063705
2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 16601553
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 82131580
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
CID 66741222
3-[5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 6465711
3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 19728800
3-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)pyrazin-2-one
CID 16824560
5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 63090805
1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole
CID 167446542
3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[(3,5-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazole
CID 21165868
3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole
CID 16514184

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(4-fluorophenyl)imidazole?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(4-fluorophenyl)imidazole (CID 141278011) is 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(4-fluorophenyl)imidazole.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(4-fluorophenyl)imidazole?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(4-fluorophenyl)imidazole is Fc1ccc(-n2ccnc2SCc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(4-fluorophenyl)imidazole?
The InChIKey is KZVYEFPKVUWDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2S/c17-15-9-13(19)2-1-11(15)10-22-16-20-7-8-21(16)14-5-3-12(18)4-6-14/h1-9H,10H2.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(4-fluorophenyl)imidazole?
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(4-fluorophenyl)imidazole has a molecular weight of 336.79 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(4-fluorophenyl)imidazole is sourced from PubChem (CID 141278011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).