benzyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate

C22H18N2O2 — CID 57384113

IUPACbenzyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1ccn2c(C(=O)OCc3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C22H18N2O2/c1-16-12-13-24-19(14-16)23-20(18-10-6-3-7-11-18)21(24)22(25)26-15-17-8-4-2-5-9-17/h2-14H,15H2,1H3
InChIKeySJDRPTMJSULTAL-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.67
Rot. Bonds4

About benzyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate

benzyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 57384113) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is benzyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID57384113
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Namebenzyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1ccn2c(C(=O)OCc3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C22H18N2O2/c1-16-12-13-24-19(14-16)23-20(18-10-6-3-7-11-18)21(24)22(25)26-15-17-8-4-2-5-9-17/h2-14H,15H2,1H3
InChIKeySJDRPTMJSULTAL-UHFFFAOYSA-N
XLogP4.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(4-methylphenyl)-alpha-oxoimidazo(1,2-a)pyridine-3-acetate
CID 4962038
Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
Ethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 860187
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
Ethyl 5-(dipropylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate
CID 127044387
5-O-tert-butyl 3-O-ethyl 4-methylimidazo[1,5-a]quinoline-3,5-dicarboxylate
CID 127044389
Tert-butyl 5-(dipropylcarbamoyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate
CID 127044721
Ethyl 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate
CID 127044891
ethyl 3-{[(E)-(dimethylamino)methylidene]amino}-1-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 2831745
[2-(4-Methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 3529980

Frequently Asked Questions

What is the IUPAC name of benzyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of benzyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate (CID 57384113) is benzyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for benzyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for benzyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate is Cc1ccn2c(C(=O)OCc3ccccc3)c(-c3ccccc3)nc2c1.
What is the InChIKey of benzyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is SJDRPTMJSULTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-16-12-13-24-19(14-16)23-20(18-10-6-3-7-11-18)21(24)22(25)26-15-17-8-4-2-5-9-17/h2-14H,15H2,1H3.
What are the key properties of benzyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
benzyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 57384113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).