2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]-6-prop-2-enylphenol

C23H19N3O — CID 5179799

IUPAC2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]-6-prop-2-enylphenol
SMILESC=CCc1cccc(/C=N/c2cccn3cc(-c4ccccc4)nc23)c1O
InChIInChI=1S/C23H19N3O/c1-2-8-18-11-6-12-19(22(18)27)15-24-20-13-7-14-26-16-21(25-23(20)26)17-9-4-3-5-10-17/h2-7,9-16,27H,1,8H2/b24-15+
InChIKeyHAMJBWQUARVZFM-BUVRLJJBSA-N
MW353.43 g/mol
LogP5.19
Rot. Bonds5

About 2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]-6-prop-2-enylphenol

2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]-6-prop-2-enylphenol (PubChem CID 5179799) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]-6-prop-2-enylphenol
PubChem CID5179799
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]-6-prop-2-enylphenol
SMILESC=CCc1cccc(/C=N/c2cccn3cc(-c4ccccc4)nc23)c1O
InChIInChI=1S/C23H19N3O/c1-2-8-18-11-6-12-19(22(18)27)15-24-20-13-7-14-26-16-21(25-23(20)26)17-9-4-3-5-10-17/h2-7,9-16,27H,1,8H2/b24-15+
InChIKeyHAMJBWQUARVZFM-BUVRLJJBSA-N
XLogP5.19
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]-6-prop-2-enylphenol?
The IUPAC name of 2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]-6-prop-2-enylphenol (CID 5179799) is 2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]-6-prop-2-enylphenol.
What is the SMILES notation for 2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]-6-prop-2-enylphenol?
The canonical SMILES for 2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]-6-prop-2-enylphenol is C=CCc1cccc(/C=N/c2cccn3cc(-c4ccccc4)nc23)c1O.
What is the InChIKey of 2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]-6-prop-2-enylphenol?
The InChIKey is HAMJBWQUARVZFM-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H19N3O/c1-2-8-18-11-6-12-19(22(18)27)15-24-20-13-7-14-26-16-21(25-23(20)26)17-9-4-3-5-10-17/h2-7,9-16,27H,1,8H2/b24-15+.
What are the key properties of 2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]-6-prop-2-enylphenol?
2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]-6-prop-2-enylphenol has a molecular weight of 353.43 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]-6-prop-2-enylphenol is sourced from PubChem (CID 5179799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).