[3-(benzylcarbamoyl)phenyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate

C23H19N3O3 — CID 55343003

IUPAC[3-(benzylcarbamoyl)phenyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cccc2nc(C(=O)Oc3cccc(C(=O)NCc4ccccc4)c3)cn12
InChIInChI=1S/C23H19N3O3/c1-16-7-5-12-21-25-20(15-26(16)21)23(28)29-19-11-6-10-18(13-19)22(27)24-14-17-8-3-2-4-9-17/h2-13,15H,14H2,1H3,(H,24,27)
InChIKeyUGZRALHYNDNACO-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.79
Rot. Bonds5

About [3-(benzylcarbamoyl)phenyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate

[3-(benzylcarbamoyl)phenyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 55343003) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is [3-(benzylcarbamoyl)phenyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[3-(benzylcarbamoyl)phenyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID55343003
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name[3-(benzylcarbamoyl)phenyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cccc2nc(C(=O)Oc3cccc(C(=O)NCc4ccccc4)c3)cn12
InChIInChI=1S/C23H19N3O3/c1-16-7-5-12-21-25-20(15-26(16)21)23(28)29-19-11-6-10-18(13-19)22(27)24-14-17-8-3-2-4-9-17/h2-13,15H,14H2,1H3,(H,24,27)
InChIKeyUGZRALHYNDNACO-UHFFFAOYSA-N
XLogP3.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-(benzylcarbamoyl)phenyl] 5-methylthiophene-2-carboxylate
CID 55342775
[3-(benzylcarbamoyl)phenyl] 3,5-difluorobenzoate
CID 8879154
[3-(benzylcarbamoyl)phenyl] 2-(1,3,5-trimethylpyrazol-4-yl)acetate
CID 55478627
[4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40576074
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
5-methylimidazo[1,2-a]pyridine-2-carbohydrazide
CID 43236612
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55797120
N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide
CID 9253337
N-[3-(hydroxymethyl)phenyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 60630109
[3-(benzylcarbamoyl)phenyl] 2-(2-methoxyphenoxy)acetate
CID 8879306
2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid
CID 81368196
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108

Frequently Asked Questions

What is the IUPAC name of [3-(benzylcarbamoyl)phenyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [3-(benzylcarbamoyl)phenyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 55343003) is [3-(benzylcarbamoyl)phenyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [3-(benzylcarbamoyl)phenyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [3-(benzylcarbamoyl)phenyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate is Cc1cccc2nc(C(=O)Oc3cccc(C(=O)NCc4ccccc4)c3)cn12.
What is the InChIKey of [3-(benzylcarbamoyl)phenyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is UGZRALHYNDNACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-16-7-5-12-21-25-20(15-26(16)21)23(28)29-19-11-6-10-18(13-19)22(27)24-14-17-8-3-2-4-9-17/h2-13,15H,14H2,1H3,(H,24,27).
What are the key properties of [3-(benzylcarbamoyl)phenyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
[3-(benzylcarbamoyl)phenyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzylcarbamoyl)phenyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 55343003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).