2-[[1-[(4-chlorophenyl)methyl]-4-phenylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

C25H22ClN5S — CID 44547074

IUPAC2-[[1-[(4-chlorophenyl)methyl]-4-phenylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(C)n2nc(SCc3nc(-c4ccccc4)cn3Cc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C25H22ClN5S/c1-17-12-18(2)31-23(13-17)28-25(29-31)32-16-24-27-22(20-6-4-3-5-7-20)15-30(24)14-19-8-10-21(26)11-9-19/h3-13,15H,14,16H2,1-2H3
InChIKeyGSJMJNPUTLWJOB-UHFFFAOYSA-N
MW460.01 g/mol
LogP6.20
Rot. Bonds6

About 2-[[1-[(4-chlorophenyl)methyl]-4-phenylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

2-[[1-[(4-chlorophenyl)methyl]-4-phenylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 44547074) has the molecular formula C25H22ClN5S and a molecular weight of 460.01 g/mol. Its IUPAC name is 2-[[1-[(4-chlorophenyl)methyl]-4-phenylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[[1-[(4-chlorophenyl)methyl]-4-phenylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID44547074
Molecular FormulaC25H22ClN5S
Molecular Weight460.01 g/mol
Exact Mass459.13
IUPAC Name2-[[1-[(4-chlorophenyl)methyl]-4-phenylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(C)n2nc(SCc3nc(-c4ccccc4)cn3Cc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C25H22ClN5S/c1-17-12-18(2)31-23(13-17)28-25(29-31)32-16-24-27-22(20-6-4-3-5-7-20)15-30(24)14-19-8-10-21(26)11-9-19/h3-13,15H,14,16H2,1-2H3
InChIKeyGSJMJNPUTLWJOB-UHFFFAOYSA-N
XLogP6.20
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.01
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[(4-chlorophenyl)methyl]-4-phenylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

1H-Benzimidazol-2-ylmethyl 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide
CID 1242300
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 44537944
US10399985, Example 20
CID 118278203
US10399985, Example 19
CID 118278204
US10399985, Example 17
CID 118278237
5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44547515
5,8-Dimethyl-2-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)(1,2,4)triazolo(1,5-a)pyridine
CID 44547965
5,8-Dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 71151969
3-(4-chlorophenyl)-N-[3-(1H-imidazol-1-yl)propyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3804160
US10399985, Example 14
CID 118278105
US10399985, Example 22
CID 118278115
US10399985, Example 16
CID 118278207

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-chlorophenyl)methyl]-4-phenylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[[1-[(4-chlorophenyl)methyl]-4-phenylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (CID 44547074) is 2-[[1-[(4-chlorophenyl)methyl]-4-phenylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[[1-[(4-chlorophenyl)methyl]-4-phenylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[[1-[(4-chlorophenyl)methyl]-4-phenylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(C)n2nc(SCc3nc(-c4ccccc4)cn3Cc3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2-[[1-[(4-chlorophenyl)methyl]-4-phenylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GSJMJNPUTLWJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5S/c1-17-12-18(2)31-23(13-17)28-25(29-31)32-16-24-27-22(20-6-4-3-5-7-20)15-30(24)14-19-8-10-21(26)11-9-19/h3-13,15H,14,16H2,1-2H3.
What are the key properties of 2-[[1-[(4-chlorophenyl)methyl]-4-phenylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
2-[[1-[(4-chlorophenyl)methyl]-4-phenylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 460.01 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-chlorophenyl)methyl]-4-phenylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 44547074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).