7-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole

C19H17F3N4OS — CID 27443460

IUPAC7-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESCOc1ccc(N2CCn3c(SCc4cccc(C(F)(F)F)c4)nnc32)cc1
InChIInChI=1S/C19H17F3N4OS/c1-27-16-7-5-15(6-8-16)25-9-10-26-17(25)23-24-18(26)28-12-13-3-2-4-14(11-13)19(20,21)22/h2-8,11H,9-10,12H2,1H3
InChIKeyVAWWMKWULWHNAF-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.75
Rot. Bonds5

About 7-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole

7-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (PubChem CID 27443460) has the molecular formula C19H17F3N4OS and a molecular weight of 406.43 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
PubChem CID27443460
Molecular FormulaC19H17F3N4OS
Molecular Weight406.43 g/mol
Exact Mass406.11
IUPAC Name7-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESCOc1ccc(N2CCn3c(SCc4cccc(C(F)(F)F)c4)nnc32)cc1
InChIInChI=1S/C19H17F3N4OS/c1-27-16-7-5-15(6-8-16)25-9-10-26-17(25)23-24-18(26)28-12-13-3-2-4-14(11-13)19(20,21)22/h2-8,11H,9-10,12H2,1H3
InChIKeyVAWWMKWULWHNAF-UHFFFAOYSA-N
XLogP4.75
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-3-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 17383049
3-benzylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
CID 18570029
7-(4-methylphenyl)-3-[(3-nitrophenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
CID 41160483
3-(4-methoxyphenyl)-4-(2-phenylethyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 2436128
2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 41160337
7-(4-ethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
CID 27652772
N-(2,4-difluorophenyl)-2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
CID 18569973
N-[1-[4-(3-chlorophenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
CID 45243894
3-(3,4-dimethoxyphenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 19730880
2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 27443435
N-(3,5-dimethylphenyl)-2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
CID 27476164
4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-amine
CID 39076201

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The IUPAC name of 7-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (CID 27443460) is 7-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 7-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The canonical SMILES for 7-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is COc1ccc(N2CCn3c(SCc4cccc(C(F)(F)F)c4)nnc32)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The InChIKey is VAWWMKWULWHNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4OS/c1-27-16-7-5-15(6-8-16)25-9-10-26-17(25)23-24-18(26)28-12-13-3-2-4-14(11-13)19(20,21)22/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 7-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
7-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole has a molecular weight of 406.43 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 27443460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).