7-(4-ethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole

C20H22N4OS — CID 27652772

IUPAC7-(4-ethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESCCOc1ccc(N2CCn3c(SCc4ccc(C)cc4)nnc32)cc1
InChIInChI=1S/C20H22N4OS/c1-3-25-18-10-8-17(9-11-18)23-12-13-24-19(23)21-22-20(24)26-14-16-6-4-15(2)5-7-16/h4-11H,3,12-14H2,1-2H3
InChIKeyUUFIFKHBSAEBQY-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.43
Rot. Bonds6

About 7-(4-ethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole

7-(4-ethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (PubChem CID 27652772) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 7-(4-ethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name7-(4-ethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
PubChem CID27652772
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name7-(4-ethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESCCOc1ccc(N2CCn3c(SCc4ccc(C)cc4)nnc32)cc1
InChIInChI=1S/C20H22N4OS/c1-3-25-18-10-8-17(9-11-18)23-12-13-24-19(23)21-22-20(24)26-14-16-6-4-15(2)5-7-16/h4-11H,3,12-14H2,1-2H3
InChIKeyUUFIFKHBSAEBQY-UHFFFAOYSA-N
XLogP4.43
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-methylphenyl)-3-(pyridin-2-ylmethylsulfanyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
CID 41160484
2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-N-propylacetamide
CID 41160283
2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 41160264
7-(4-methylphenyl)-3-methylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
CID 41160459
7-(4-methylphenyl)-3-[(3-nitrophenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
CID 41160483
3-benzylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
CID 18570029
7-(4-methylphenyl)-3-propan-2-ylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
CID 41160462
2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 27652710
2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 41160279
N-(1,3-benzodioxol-5-yl)-2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
CID 41160271
2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 41160269
3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine
CID 3771171

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The IUPAC name of 7-(4-ethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (CID 27652772) is 7-(4-ethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 7-(4-ethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The canonical SMILES for 7-(4-ethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is CCOc1ccc(N2CCn3c(SCc4ccc(C)cc4)nnc32)cc1.
What is the InChIKey of 7-(4-ethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The InChIKey is UUFIFKHBSAEBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-3-25-18-10-8-17(9-11-18)23-12-13-24-19(23)21-22-20(24)26-14-16-6-4-15(2)5-7-16/h4-11H,3,12-14H2,1-2H3.
What are the key properties of 7-(4-ethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
7-(4-ethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole has a molecular weight of 366.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 27652772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).