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

C16H18N2O — CID 82120169

IUPAC5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1ccc(-c2nc3n(c2C=O)C(C)CCC3)cc1
InChIInChI=1S/C16H18N2O/c1-11-6-8-13(9-7-11)16-14(10-19)18-12(2)4-3-5-15(18)17-16/h6-10,12H,3-5H2,1-2H3
InChIKeyMNARMUHNKHTMET-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.57
Rot. Bonds2

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

5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 82120169) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID82120169
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1ccc(-c2nc3n(c2C=O)C(C)CCC3)cc1
InChIInChI=1S/C16H18N2O/c1-11-6-8-13(9-7-11)16-14(10-19)18-12(2)4-3-5-15(18)17-16/h6-10,12H,3-5H2,1-2H3
InChIKeyMNARMUHNKHTMET-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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Related Compounds

2,5-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 82111453
8-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 82120167
5-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82120509
2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 82120163
2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 82123432
1-chloro-5-methyl-3-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117248055
2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197951
(1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
CID 97302978
(6R)-2-(4-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125449521
3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117150518
1,2-dimethylpyrrolidine;4-methylbenzaldehyde
CID 142809260
6-tert-butyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 82036030

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde (CID 82120169) is 5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde is Cc1ccc(-c2nc3n(c2C=O)C(C)CCC3)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is MNARMUHNKHTMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-6-8-13(9-7-11)16-14(10-19)18-12(2)4-3-5-15(18)17-16/h6-10,12H,3-5H2,1-2H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
5-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 5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 82120169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).