2-[[4-(3-chlorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

C19H18ClN5S — CID 44546909

IUPAC2-[[4-(3-chlorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(C)n2nc(SCc3nc(-c4cccc(Cl)c4)cn3C)nc2c1
InChIInChI=1S/C19H18ClN5S/c1-12-7-13(2)25-17(8-12)22-19(23-25)26-11-18-21-16(10-24(18)3)14-5-4-6-15(20)9-14/h4-10H,11H2,1-3H3
InChIKeyNUWNMNJMKKOLTQ-UHFFFAOYSA-N
MW383.91 g/mol
LogP4.69
Rot. Bonds4

About 2-[[4-(3-chlorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

2-[[4-(3-chlorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 44546909) has the molecular formula C19H18ClN5S and a molecular weight of 383.91 g/mol. Its IUPAC name is 2-[[4-(3-chlorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[[4-(3-chlorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID44546909
Molecular FormulaC19H18ClN5S
Molecular Weight383.91 g/mol
Exact Mass383.10
IUPAC Name2-[[4-(3-chlorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(C)n2nc(SCc3nc(-c4cccc(Cl)c4)cn3C)nc2c1
InChIInChI=1S/C19H18ClN5S/c1-12-7-13(2)25-17(8-12)22-19(23-25)26-11-18-21-16(10-24(18)3)14-5-4-6-15(20)9-14/h4-10H,11H2,1-3H3
InChIKeyNUWNMNJMKKOLTQ-UHFFFAOYSA-N
XLogP4.69
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.91
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-chlorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[[4-(3-chlorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (CID 44546909) is 2-[[4-(3-chlorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[[4-(3-chlorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[[4-(3-chlorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(C)n2nc(SCc3nc(-c4cccc(Cl)c4)cn3C)nc2c1.
What is the InChIKey of 2-[[4-(3-chlorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NUWNMNJMKKOLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5S/c1-12-7-13(2)25-17(8-12)22-19(23-25)26-11-18-21-16(10-24(18)3)14-5-4-6-15(20)9-14/h4-10H,11H2,1-3H3.
What are the key properties of 2-[[4-(3-chlorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
2-[[4-(3-chlorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 383.91 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-chlorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 44546909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).