7-butyl-2-chloro-3-(4-methoxyphenyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one

C17H20ClN3O2 — CID 71721695

IUPAC7-butyl-2-chloro-3-(4-methoxyphenyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
SMILESCCCCN1CCn2c(nc(Cl)c2-c2ccc(OC)cc2)C1=O
InChIInChI=1S/C17H20ClN3O2/c1-3-4-9-20-10-11-21-14(15(18)19-16(21)17(20)22)12-5-7-13(23-2)8-6-12/h5-8H,3-4,9-11H2,1-2H3
InChIKeyGDDASVWZWFNBIJ-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.47
Rot. Bonds5

About 7-butyl-2-chloro-3-(4-methoxyphenyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one

7-butyl-2-chloro-3-(4-methoxyphenyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one (PubChem CID 71721695) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 7-butyl-2-chloro-3-(4-methoxyphenyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-butyl-2-chloro-3-(4-methoxyphenyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
PubChem CID71721695
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name7-butyl-2-chloro-3-(4-methoxyphenyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
SMILESCCCCN1CCn2c(nc(Cl)c2-c2ccc(OC)cc2)C1=O
InChIInChI=1S/C17H20ClN3O2/c1-3-4-9-20-10-11-21-14(15(18)19-16(21)17(20)22)12-5-7-13(23-2)8-6-12/h5-8H,3-4,9-11H2,1-2H3
InChIKeyGDDASVWZWFNBIJ-UHFFFAOYSA-N
XLogP3.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-2-chloro-3-(4-methoxyphenyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 7-butyl-2-chloro-3-(4-methoxyphenyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one (CID 71721695) is 7-butyl-2-chloro-3-(4-methoxyphenyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-butyl-2-chloro-3-(4-methoxyphenyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-butyl-2-chloro-3-(4-methoxyphenyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one is CCCCN1CCn2c(nc(Cl)c2-c2ccc(OC)cc2)C1=O.
What is the InChIKey of 7-butyl-2-chloro-3-(4-methoxyphenyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The InChIKey is GDDASVWZWFNBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-3-4-9-20-10-11-21-14(15(18)19-16(21)17(20)22)12-5-7-13(23-2)8-6-12/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of 7-butyl-2-chloro-3-(4-methoxyphenyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
7-butyl-2-chloro-3-(4-methoxyphenyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one has a molecular weight of 333.82 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-2-chloro-3-(4-methoxyphenyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 71721695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).