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

C17H20N2O — CID 82123432

IUPAC2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(C)c1ccc(-c2nc3n(c2C=O)CCCC3)cc1
InChIInChI=1S/C17H20N2O/c1-12(2)13-6-8-14(9-7-13)17-15(11-20)19-10-4-3-5-16(19)18-17/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeySIEJTMZPYXUKDA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.82
Rot. Bonds3

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

2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 82123432) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID82123432
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(C)c1ccc(-c2nc3n(c2C=O)CCCC3)cc1
InChIInChI=1S/C17H20N2O/c1-12(2)13-6-8-14(9-7-13)17-15(11-20)19-10-4-3-5-16(19)18-17/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeySIEJTMZPYXUKDA-UHFFFAOYSA-N
XLogP3.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.82
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 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde (CID 82123432) is 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde is CC(C)c1ccc(-c2nc3n(c2C=O)CCCC3)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is SIEJTMZPYXUKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12(2)13-6-8-14(9-7-13)17-15(11-20)19-10-4-3-5-16(19)18-17/h6-9,11-12H,3-5,10H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 268.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 82123432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).