butyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate

C20H22N2O2 — CID 10567857

IUPACbutyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
SMILESCCCCOC(=O)Cc1c(-c2ccccc2)nc2ccc(C)cn12
InChIInChI=1S/C20H22N2O2/c1-3-4-12-24-19(23)13-17-20(16-8-6-5-7-9-16)21-18-11-10-15(2)14-22(17)18/h5-11,14H,3-4,12-13H2,1-2H3
InChIKeyZMDIVQGWEPFKGD-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.20
Rot. Bonds6

About butyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate

butyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate (PubChem CID 10567857) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is butyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
PubChem CID10567857
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Namebutyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
SMILESCCCCOC(=O)Cc1c(-c2ccccc2)nc2ccc(C)cn12
InChIInChI=1S/C20H22N2O2/c1-3-4-12-24-19(23)13-17-20(16-8-6-5-7-9-16)21-18-11-10-15(2)14-22(17)18/h5-11,14H,3-4,12-13H2,1-2H3
InChIKeyZMDIVQGWEPFKGD-UHFFFAOYSA-N
XLogP4.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Zolpidem
CID 5732
Miroprofen
CID 68752
Zolpidem carboxylic acid
CID 11966044
Ethyl 2-(4-methylphenyl)-alpha-oxoimidazo(1,2-a)pyridine-3-acetate
CID 4962038
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
SL-84.0877
CID 13691335
Imidazo(1,2-a)pyridine-3-acetamide, 6-(hydroxymethyl)-N,N-dimethyl-2-(4-methylphenyl)-
CID 13691337
3-(6-Amino-3-pyridinyl)-2-(1-cyclohexylimidazol-4-yl)propanoic acid
CID 11702405
3-(6-Amino-5-methyl-pyridin-3-yl)-2-[1-(4-methyl-pentyl)-1H-imidazol-4-yl]-propionic acid
CID 44308370
3-(6-Amino-5-methyl-pyridin-3-yl)-2-[1-(3-methyl-butyl)-1H-imidazol-4-yl]-propionic acid
CID 44308385

Frequently Asked Questions

What is the IUPAC name of butyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The IUPAC name of butyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate (CID 10567857) is butyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate.
What is the SMILES notation for butyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The canonical SMILES for butyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate is CCCCOC(=O)Cc1c(-c2ccccc2)nc2ccc(C)cn12.
What is the InChIKey of butyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The InChIKey is ZMDIVQGWEPFKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-4-12-24-19(23)13-17-20(16-8-6-5-7-9-16)21-18-11-10-15(2)14-22(17)18/h5-11,14H,3-4,12-13H2,1-2H3.
What are the key properties of butyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
butyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate has a molecular weight of 322.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate is sourced from PubChem (CID 10567857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).