(2-imidazo[1,2-a]pyridin-2-ylphenyl) prop-2-enoate

C16H12N2O2 — CID 172740674

IUPAC(2-imidazo[1,2-a]pyridin-2-ylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1-c1cn2ccccc2n1
InChIInChI=1S/C16H12N2O2/c1-2-16(19)20-14-8-4-3-7-12(14)13-11-18-10-6-5-9-15(18)17-13/h2-11H,1H2
InChIKeyJBBCCVWQEFKZGE-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.09
Rot. Bonds3

About (2-imidazo[1,2-a]pyridin-2-ylphenyl) prop-2-enoate

(2-imidazo[1,2-a]pyridin-2-ylphenyl) prop-2-enoate (PubChem CID 172740674) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2-imidazo[1,2-a]pyridin-2-ylphenyl) prop-2-enoate.

Molecular Properties

Compound Name(2-imidazo[1,2-a]pyridin-2-ylphenyl) prop-2-enoate
PubChem CID172740674
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name(2-imidazo[1,2-a]pyridin-2-ylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1-c1cn2ccccc2n1
InChIInChI=1S/C16H12N2O2/c1-2-16(19)20-14-8-4-3-7-12(14)13-11-18-10-6-5-9-15(18)17-13/h2-11H,1H2
InChIKeyJBBCCVWQEFKZGE-UHFFFAOYSA-N
XLogP3.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate
CID 135030601
2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160674288
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)acetamide
CID 121148942
3-amino-4-imidazo[1,2-a]pyridin-2-ylpyrazole-1-carboxamide
CID 70501209
2-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234050
methyl 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117135447
N-(4-chlorophenyl)-2-imidazo[1,2-a]pyridin-2-ylbenzamide
CID 132528901
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)furan-3-carboxamide
CID 121149015
(2-methoxyphenyl) prop-2-enoate
CID 22987486
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-(4-phenylphenoxy)acetamide
CID 121148988
3-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 119099857
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728

Frequently Asked Questions

What is the IUPAC name of (2-imidazo[1,2-a]pyridin-2-ylphenyl) prop-2-enoate?
The IUPAC name of (2-imidazo[1,2-a]pyridin-2-ylphenyl) prop-2-enoate (CID 172740674) is (2-imidazo[1,2-a]pyridin-2-ylphenyl) prop-2-enoate.
What is the SMILES notation for (2-imidazo[1,2-a]pyridin-2-ylphenyl) prop-2-enoate?
The canonical SMILES for (2-imidazo[1,2-a]pyridin-2-ylphenyl) prop-2-enoate is C=CC(=O)Oc1ccccc1-c1cn2ccccc2n1.
What is the InChIKey of (2-imidazo[1,2-a]pyridin-2-ylphenyl) prop-2-enoate?
The InChIKey is JBBCCVWQEFKZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-2-16(19)20-14-8-4-3-7-12(14)13-11-18-10-6-5-9-15(18)17-13/h2-11H,1H2.
What are the key properties of (2-imidazo[1,2-a]pyridin-2-ylphenyl) prop-2-enoate?
(2-imidazo[1,2-a]pyridin-2-ylphenyl) prop-2-enoate has a molecular weight of 264.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imidazo[1,2-a]pyridin-2-ylphenyl) prop-2-enoate is sourced from PubChem (CID 172740674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).