8-(2,4-dichlorophenyl)-3-(1-ethoxybutyl)-2-methylsulfanylimidazo[1,2-a]pyrazine

C19H21Cl2N3OS — CID 22024491

IUPAC8-(2,4-dichlorophenyl)-3-(1-ethoxybutyl)-2-methylsulfanylimidazo[1,2-a]pyrazine
SMILESCCCC(OCC)c1c(SC)nc2c(-c3ccc(Cl)cc3Cl)nccn12
InChIInChI=1S/C19H21Cl2N3OS/c1-4-6-15(25-5-2)17-19(26-3)23-18-16(22-9-10-24(17)18)13-8-7-12(20)11-14(13)21/h7-11,15H,4-6H2,1-3H3
InChIKeyOXHSPHYZGIXZHU-UHFFFAOYSA-N
MW410.37 g/mol
LogP6.30
Rot. Bonds7

About 8-(2,4-dichlorophenyl)-3-(1-ethoxybutyl)-2-methylsulfanylimidazo[1,2-a]pyrazine

8-(2,4-dichlorophenyl)-3-(1-ethoxybutyl)-2-methylsulfanylimidazo[1,2-a]pyrazine (PubChem CID 22024491) has the molecular formula C19H21Cl2N3OS and a molecular weight of 410.37 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-3-(1-ethoxybutyl)-2-methylsulfanylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-3-(1-ethoxybutyl)-2-methylsulfanylimidazo[1,2-a]pyrazine
PubChem CID22024491
Molecular FormulaC19H21Cl2N3OS
Molecular Weight410.37 g/mol
Exact Mass409.08
IUPAC Name8-(2,4-dichlorophenyl)-3-(1-ethoxybutyl)-2-methylsulfanylimidazo[1,2-a]pyrazine
SMILESCCCC(OCC)c1c(SC)nc2c(-c3ccc(Cl)cc3Cl)nccn12
InChIInChI=1S/C19H21Cl2N3OS/c1-4-6-15(25-5-2)17-19(26-3)23-18-16(22-9-10-24(17)18)13-8-7-12(20)11-14(13)21/h7-11,15H,4-6H2,1-3H3
InChIKeyOXHSPHYZGIXZHU-UHFFFAOYSA-N
XLogP6.30
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.37
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-3-(1-ethoxybutyl)-2-methylsulfanylimidazo[1,2-a]pyrazine?
The IUPAC name of 8-(2,4-dichlorophenyl)-3-(1-ethoxybutyl)-2-methylsulfanylimidazo[1,2-a]pyrazine (CID 22024491) is 8-(2,4-dichlorophenyl)-3-(1-ethoxybutyl)-2-methylsulfanylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-3-(1-ethoxybutyl)-2-methylsulfanylimidazo[1,2-a]pyrazine?
The canonical SMILES for 8-(2,4-dichlorophenyl)-3-(1-ethoxybutyl)-2-methylsulfanylimidazo[1,2-a]pyrazine is CCCC(OCC)c1c(SC)nc2c(-c3ccc(Cl)cc3Cl)nccn12.
What is the InChIKey of 8-(2,4-dichlorophenyl)-3-(1-ethoxybutyl)-2-methylsulfanylimidazo[1,2-a]pyrazine?
The InChIKey is OXHSPHYZGIXZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3OS/c1-4-6-15(25-5-2)17-19(26-3)23-18-16(22-9-10-24(17)18)13-8-7-12(20)11-14(13)21/h7-11,15H,4-6H2,1-3H3.
What are the key properties of 8-(2,4-dichlorophenyl)-3-(1-ethoxybutyl)-2-methylsulfanylimidazo[1,2-a]pyrazine?
8-(2,4-dichlorophenyl)-3-(1-ethoxybutyl)-2-methylsulfanylimidazo[1,2-a]pyrazine has a molecular weight of 410.37 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenyl)-3-(1-ethoxybutyl)-2-methylsulfanylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 22024491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).