[2-benzyl-8-[(2-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate

C29H25N3O2 — CID 135364502

IUPAC[2-benzyl-8-[(2-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2ccccc2)nc2c(Cc3ccccc3C)nc(-c3ccccc3)cn12
InChIInChI=1S/C29H25N3O2/c1-20-11-9-10-16-24(20)18-25-28-31-26(17-22-12-5-3-6-13-22)29(34-21(2)33)32(28)19-27(30-25)23-14-7-4-8-15-23/h3-16,19H,17-18H2,1-2H3
InChIKeyLEEBDAGLMZSMQN-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.81
Rot. Bonds6

About [2-benzyl-8-[(2-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate

[2-benzyl-8-[(2-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate (PubChem CID 135364502) has the molecular formula C29H25N3O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is [2-benzyl-8-[(2-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate.

Molecular Properties

Compound Name[2-benzyl-8-[(2-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
PubChem CID135364502
Molecular FormulaC29H25N3O2
Molecular Weight447.54 g/mol
Exact Mass447.19
IUPAC Name[2-benzyl-8-[(2-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2ccccc2)nc2c(Cc3ccccc3C)nc(-c3ccccc3)cn12
InChIInChI=1S/C29H25N3O2/c1-20-11-9-10-16-24(20)18-25-28-31-26(17-22-12-5-3-6-13-22)29(34-21(2)33)32(28)19-27(30-25)23-14-7-4-8-15-23/h3-16,19H,17-18H2,1-2H3
InChIKeyLEEBDAGLMZSMQN-UHFFFAOYSA-N
XLogP5.81
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[8-benzyl-6-phenyl-2-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364681
[8-benzyl-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135368245
[8-benzyl-2-[(5-ethyl-4-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135368183
[8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364755
[2-benzyl-6-phenyl-8-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 142461559
[8-benzyl-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364704
[6-(4-acetyloxyphenyl)-2-[(4-acetyloxyphenyl)methyl]-8-benzylimidazo[1,2-a]pyrazin-3-yl]oxymethyl acetate
CID 58960213
[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364458
[2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364610
[2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364833
[8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 146503597
[8-[(3,5-difluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135367992

Frequently Asked Questions

What is the IUPAC name of [2-benzyl-8-[(2-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
The IUPAC name of [2-benzyl-8-[(2-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate (CID 135364502) is [2-benzyl-8-[(2-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate.
What is the SMILES notation for [2-benzyl-8-[(2-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
The canonical SMILES for [2-benzyl-8-[(2-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate is CC(=O)Oc1c(Cc2ccccc2)nc2c(Cc3ccccc3C)nc(-c3ccccc3)cn12.
What is the InChIKey of [2-benzyl-8-[(2-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
The InChIKey is LEEBDAGLMZSMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O2/c1-20-11-9-10-16-24(20)18-25-28-31-26(17-22-12-5-3-6-13-22)29(34-21(2)33)32(28)19-27(30-25)23-14-7-4-8-15-23/h3-16,19H,17-18H2,1-2H3.
What are the key properties of [2-benzyl-8-[(2-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
[2-benzyl-8-[(2-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate has a molecular weight of 447.54 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzyl-8-[(2-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate is sourced from PubChem (CID 135364502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).