2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzaldehyde

C14H14N2O — CID 84735812

IUPAC2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzaldehyde
SMILESO=Cc1ccccc1-c1cn2c(n1)CCCC2
InChIInChI=1S/C14H14N2O/c17-10-11-5-1-2-6-12(11)13-9-16-8-4-3-7-14(16)15-13/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyTVNVGIUHKZKZIF-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.70
Rot. Bonds2

About 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzaldehyde

2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzaldehyde (PubChem CID 84735812) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzaldehyde
PubChem CID84735812
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzaldehyde
SMILESO=Cc1ccccc1-c1cn2c(n1)CCCC2
InChIInChI=1S/C14H14N2O/c17-10-11-5-1-2-6-12(11)13-9-16-8-4-3-7-14(16)15-13/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyTVNVGIUHKZKZIF-UHFFFAOYSA-N
XLogP2.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.70
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-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzaldehyde?
The IUPAC name of 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzaldehyde (CID 84735812) is 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzaldehyde.
What is the SMILES notation for 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzaldehyde?
The canonical SMILES for 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzaldehyde is O=Cc1ccccc1-c1cn2c(n1)CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzaldehyde?
The InChIKey is TVNVGIUHKZKZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-10-11-5-1-2-6-12(11)13-9-16-8-4-3-7-14(16)15-13/h1-2,5-6,9-10H,3-4,7-8H2.
What are the key properties of 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzaldehyde?
2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzaldehyde has a molecular weight of 226.28 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzaldehyde is sourced from PubChem (CID 84735812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).