benzyl 2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate

C16H15N3O2 — CID 118706497

IUPACbenzyl 2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate
SMILESCc1cn2c(C(=O)OCc3ccccc3)c(C)nc2cn1
InChIInChI=1S/C16H15N3O2/c1-11-9-19-14(8-17-11)18-12(2)15(19)16(20)21-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyCHJBHITVGZOVGT-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.70
Rot. Bonds3

About benzyl 2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate

benzyl 2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate (PubChem CID 118706497) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is benzyl 2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate
PubChem CID118706497
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Namebenzyl 2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate
SMILESCc1cn2c(C(=O)OCc3ccccc3)c(C)nc2cn1
InChIInChI=1S/C16H15N3O2/c1-11-9-19-14(8-17-11)18-12(2)15(19)16(20)21-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyCHJBHITVGZOVGT-UHFFFAOYSA-N
XLogP2.70
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
[2-(4-Methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 3529980
Ethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473604
Ethyl 2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 2764795
Benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 57384112
Ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 682232
Ethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473605
Ethyl 2-methylimidazo[2,1-a]isoquinoline-3-carboxylate
CID 749132
Imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate
CID 2999528
Benzyl 7-methyl-2-phenyl-imidazo[1,2-a]pyridine-3-carboxylate
CID 57384113

Frequently Asked Questions

What is the IUPAC name of benzyl 2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate?
The IUPAC name of benzyl 2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate (CID 118706497) is benzyl 2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate.
What is the SMILES notation for benzyl 2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate?
The canonical SMILES for benzyl 2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate is Cc1cn2c(C(=O)OCc3ccccc3)c(C)nc2cn1.
What is the InChIKey of benzyl 2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate?
The InChIKey is CHJBHITVGZOVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-9-19-14(8-17-11)18-12(2)15(19)16(20)21-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3.
What are the key properties of benzyl 2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate?
benzyl 2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate is sourced from PubChem (CID 118706497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).