3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one

C20H18N4O3 — CID 11646232

IUPAC3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1ccc(-c2cnc3[nH]c(=O)n(Cc4ccccc4)c3n2)c(OC)c1
InChIInChI=1S/C20H18N4O3/c1-26-14-8-9-15(17(10-14)27-2)16-11-21-18-19(22-16)24(20(25)23-18)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,23,25)
InChIKeyAOBNJNPWTLZZJA-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.85
Rot. Bonds5

About 3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one

3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 11646232) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID11646232
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1ccc(-c2cnc3[nH]c(=O)n(Cc4ccccc4)c3n2)c(OC)c1
InChIInChI=1S/C20H18N4O3/c1-26-14-8-9-15(17(10-14)27-2)16-11-21-18-19(22-16)24(20(25)23-18)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,23,25)
InChIKeyAOBNJNPWTLZZJA-UHFFFAOYSA-N
XLogP2.85
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 11646232) is 3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one is COc1ccc(-c2cnc3[nH]c(=O)n(Cc4ccccc4)c3n2)c(OC)c1.
What is the InChIKey of 3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is AOBNJNPWTLZZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-26-14-8-9-15(17(10-14)27-2)16-11-21-18-19(22-16)24(20(25)23-18)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,23,25).
What are the key properties of 3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 362.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 11646232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).