N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide

C20H17ClF3N5O2S — CID 27443442

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide (PubChem CID 27443442) has the molecular formula C20H17ClF3N5O2S and a molecular weight of 483.90 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
• PubChem CID: 27443442
• Molecular Formula: C20H17ClF3N5O2S
• Molecular Weight: 483.90 g/mol
• Exact Mass: 483.07
• IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
• SMILES: COc1ccc(N2CCn3c(SCC(=O)Nc4cc(C(F)(F)F)ccc4Cl)nnc32)cc1
• InChI: InChI=1S/C20H17ClF3N5O2S/c1-31-14-5-3-13(4-6-14)28-8-9-29-18(28)26-27-19(29)32-11-17(30)25-16-10-12(20(22,23)24)2-7-15(16)21/h2-7,10H,8-9,11H2,1H3,(H,25,30)
• InChIKey: LYJYOOVRWYISDE-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.90
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?

The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide (CID 27443442) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide.

What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?

The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide is COc1ccc(N2CCn3c(SCC(=O)Nc4cc(C(F)(F)F)ccc4Cl)nnc32)cc1.

What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?

The InChIKey is LYJYOOVRWYISDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N5O2S/c1-31-14-5-3-13(4-6-14)28-8-9-29-18(28)26-27-19(29)32-11-17(30)25-16-10-12(20(22,23)24)2-7-15(16)21/h2-7,10H,8-9,11H2,1H3,(H,25,30).

What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide has a molecular weight of 483.90 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 27443442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).