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

C17H13ClF2N4S — CID 18570055

IUPAC3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESFc1ccc(N2CCn3c(SCc4c(F)cccc4Cl)nnc32)cc1
InChIInChI=1S/C17H13ClF2N4S/c18-14-2-1-3-15(20)13(14)10-25-17-22-21-16-23(8-9-24(16)17)12-6-4-11(19)5-7-12/h1-7H,8-10H2
InChIKeyLKBLIUAAJHWWLO-UHFFFAOYSA-N
MW378.84 g/mol
LogP4.65
Rot. Bonds4

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

3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (PubChem CID 18570055) has the molecular formula C17H13ClF2N4S and a molecular weight of 378.84 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
PubChem CID18570055
Molecular FormulaC17H13ClF2N4S
Molecular Weight378.84 g/mol
Exact Mass378.05
IUPAC Name3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESFc1ccc(N2CCn3c(SCc4c(F)cccc4Cl)nnc32)cc1
InChIInChI=1S/C17H13ClF2N4S/c18-14-2-1-3-15(20)13(14)10-25-17-22-21-16-23(8-9-24(16)17)12-6-4-11(19)5-7-12/h1-7H,8-10H2
InChIKeyLKBLIUAAJHWWLO-UHFFFAOYSA-N
XLogP4.65
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (CID 18570055) is 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is Fc1ccc(N2CCn3c(SCc4c(F)cccc4Cl)nnc32)cc1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The InChIKey is LKBLIUAAJHWWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4S/c18-14-2-1-3-15(20)13(14)10-25-17-22-21-16-23(8-9-24(16)17)12-6-4-11(19)5-7-12/h1-7H,8-10H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole has a molecular weight of 378.84 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 18570055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).