3-[(E)-2-(3-imidazo[1,2-a]pyridin-6-yl-2-methylphenyl)ethenyl]-4-methylbenzaldehyde

C24H20N2O — CID 159622560

IUPAC3-[(E)-2-(3-imidazo[1,2-a]pyridin-6-yl-2-methylphenyl)ethenyl]-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1/C=C/c1cccc(-c2ccc3nccn3c2)c1C
InChIInChI=1S/C24H20N2O/c1-17-6-7-19(16-27)14-21(17)9-8-20-4-3-5-23(18(20)2)22-10-11-24-25-12-13-26(24)15-22/h3-16H,1-2H3/b9-8+
InChIKeyGZUHWDBMWFORKS-CMDGGOBGSA-N
MW352.44 g/mol
LogP5.60
Rot. Bonds4

About 3-[(E)-2-(3-imidazo[1,2-a]pyridin-6-yl-2-methylphenyl)ethenyl]-4-methylbenzaldehyde

3-[(E)-2-(3-imidazo[1,2-a]pyridin-6-yl-2-methylphenyl)ethenyl]-4-methylbenzaldehyde (PubChem CID 159622560) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[(E)-2-(3-imidazo[1,2-a]pyridin-6-yl-2-methylphenyl)ethenyl]-4-methylbenzaldehyde.

Molecular Properties

Compound Name3-[(E)-2-(3-imidazo[1,2-a]pyridin-6-yl-2-methylphenyl)ethenyl]-4-methylbenzaldehyde
PubChem CID159622560
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name3-[(E)-2-(3-imidazo[1,2-a]pyridin-6-yl-2-methylphenyl)ethenyl]-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1/C=C/c1cccc(-c2ccc3nccn3c2)c1C
InChIInChI=1S/C24H20N2O/c1-17-6-7-19(16-27)14-21(17)9-8-20-4-3-5-23(18(20)2)22-10-11-24-25-12-13-26(24)15-22/h3-16H,1-2H3/b9-8+
InChIKeyGZUHWDBMWFORKS-CMDGGOBGSA-N
XLogP5.60
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-imidazo[1,2-a]pyridin-6-yl-2-methylphenyl)ethenyl]-4-methylbenzaldehyde?
The IUPAC name of 3-[(E)-2-(3-imidazo[1,2-a]pyridin-6-yl-2-methylphenyl)ethenyl]-4-methylbenzaldehyde (CID 159622560) is 3-[(E)-2-(3-imidazo[1,2-a]pyridin-6-yl-2-methylphenyl)ethenyl]-4-methylbenzaldehyde.
What is the SMILES notation for 3-[(E)-2-(3-imidazo[1,2-a]pyridin-6-yl-2-methylphenyl)ethenyl]-4-methylbenzaldehyde?
The canonical SMILES for 3-[(E)-2-(3-imidazo[1,2-a]pyridin-6-yl-2-methylphenyl)ethenyl]-4-methylbenzaldehyde is Cc1ccc(C=O)cc1/C=C/c1cccc(-c2ccc3nccn3c2)c1C.
What is the InChIKey of 3-[(E)-2-(3-imidazo[1,2-a]pyridin-6-yl-2-methylphenyl)ethenyl]-4-methylbenzaldehyde?
The InChIKey is GZUHWDBMWFORKS-CMDGGOBGSA-N. The full InChI is InChI=1S/C24H20N2O/c1-17-6-7-19(16-27)14-21(17)9-8-20-4-3-5-23(18(20)2)22-10-11-24-25-12-13-26(24)15-22/h3-16H,1-2H3/b9-8+.
What are the key properties of 3-[(E)-2-(3-imidazo[1,2-a]pyridin-6-yl-2-methylphenyl)ethenyl]-4-methylbenzaldehyde?
3-[(E)-2-(3-imidazo[1,2-a]pyridin-6-yl-2-methylphenyl)ethenyl]-4-methylbenzaldehyde has a molecular weight of 352.44 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-imidazo[1,2-a]pyridin-6-yl-2-methylphenyl)ethenyl]-4-methylbenzaldehyde is sourced from PubChem (CID 159622560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).