2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine

C20H21N5S — CID 41128682

IUPAC2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine
SMILESCCn1c(Cc2ccccc2)nnc1SCc1cn2cc(C)ccc2n1
InChIInChI=1S/C20H21N5S/c1-3-25-19(11-16-7-5-4-6-8-16)22-23-20(25)26-14-17-13-24-12-15(2)9-10-18(24)21-17/h4-10,12-13H,3,11,14H2,1-2H3
InChIKeyLRNOAJJCADBCBI-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.14
Rot. Bonds6

About 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine

2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine (PubChem CID 41128682) has the molecular formula C20H21N5S and a molecular weight of 363.49 g/mol. Its IUPAC name is 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine
PubChem CID41128682
Molecular FormulaC20H21N5S
Molecular Weight363.49 g/mol
Exact Mass363.15
IUPAC Name2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine
SMILESCCn1c(Cc2ccccc2)nnc1SCc1cn2cc(C)ccc2n1
InChIInChI=1S/C20H21N5S/c1-3-25-19(11-16-7-5-4-6-8-16)22-23-20(25)26-14-17-13-24-12-15(2)9-10-18(24)21-17/h4-10,12-13H,3,11,14H2,1-2H3
InChIKeyLRNOAJJCADBCBI-UHFFFAOYSA-N
XLogP4.14
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine (CID 41128682) is 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine is CCn1c(Cc2ccccc2)nnc1SCc1cn2cc(C)ccc2n1.
What is the InChIKey of 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine?
The InChIKey is LRNOAJJCADBCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5S/c1-3-25-19(11-16-7-5-4-6-8-16)22-23-20(25)26-14-17-13-24-12-15(2)9-10-18(24)21-17/h4-10,12-13H,3,11,14H2,1-2H3.
What are the key properties of 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine?
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine has a molecular weight of 363.49 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 41128682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).