7-methyl-3-(propylsulfanylmethyl)imidazo[1,2-a]pyridine

C12H16N2S — CID 512360

IUPAC7-methyl-3-(propylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCCCSCc1cnc2cc(C)ccn12
InChIInChI=1S/C12H16N2S/c1-3-6-15-9-11-8-13-12-7-10(2)4-5-14(11)12/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyMAENJOMCZJORJD-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.29
Rot. Bonds4

About 7-methyl-3-(propylsulfanylmethyl)imidazo[1,2-a]pyridine

7-methyl-3-(propylsulfanylmethyl)imidazo[1,2-a]pyridine (PubChem CID 512360) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 7-methyl-3-(propylsulfanylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-methyl-3-(propylsulfanylmethyl)imidazo[1,2-a]pyridine
PubChem CID512360
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name7-methyl-3-(propylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCCCSCc1cnc2cc(C)ccn12
InChIInChI=1S/C12H16N2S/c1-3-6-15-9-11-8-13-12-7-10(2)4-5-14(11)12/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyMAENJOMCZJORJD-UHFFFAOYSA-N
XLogP3.29
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(propylsulfanylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 7-methyl-3-(propylsulfanylmethyl)imidazo[1,2-a]pyridine (CID 512360) is 7-methyl-3-(propylsulfanylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-methyl-3-(propylsulfanylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 7-methyl-3-(propylsulfanylmethyl)imidazo[1,2-a]pyridine is CCCSCc1cnc2cc(C)ccn12.
What is the InChIKey of 7-methyl-3-(propylsulfanylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is MAENJOMCZJORJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-3-6-15-9-11-8-13-12-7-10(2)4-5-14(11)12/h4-5,7-8H,3,6,9H2,1-2H3.
What are the key properties of 7-methyl-3-(propylsulfanylmethyl)imidazo[1,2-a]pyridine?
7-methyl-3-(propylsulfanylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 220.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(propylsulfanylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 512360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).