8-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde

C16H18N2O — CID 82120167

IUPAC8-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1ccc(-c2nc3n(c2C=O)CCCC3C)cc1
InChIInChI=1S/C16H18N2O/c1-11-5-7-13(8-6-11)15-14(10-19)18-9-3-4-12(2)16(18)17-15/h5-8,10,12H,3-4,9H2,1-2H3
InChIKeyQNDNYQSZTZNPGV-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.57
Rot. Bonds2

About 8-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde

8-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 82120167) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 8-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name8-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID82120167
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name8-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1ccc(-c2nc3n(c2C=O)CCCC3C)cc1
InChIInChI=1S/C16H18N2O/c1-11-5-7-13(8-6-11)15-14(10-19)18-9-3-4-12(2)16(18)17-15/h5-8,10,12H,3-4,9H2,1-2H3
InChIKeyQNDNYQSZTZNPGV-UHFFFAOYSA-N
XLogP3.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 8-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde (CID 82120167) is 8-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 8-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 8-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde is Cc1ccc(-c2nc3n(c2C=O)CCCC3C)cc1.
What is the InChIKey of 8-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is QNDNYQSZTZNPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-5-7-13(8-6-11)15-14(10-19)18-9-3-4-12(2)16(18)17-15/h5-8,10,12H,3-4,9H2,1-2H3.
What are the key properties of 8-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
8-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 254.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 82120167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).