4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzaldehyde

C14H14N2O — CID 14097198

IUPAC4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzaldehyde
SMILESO=Cc1ccc(C2CCCc3cncn32)cc1
InChIInChI=1S/C14H14N2O/c17-9-11-4-6-12(7-5-11)14-3-1-2-13-8-15-10-16(13)14/h4-10,14H,1-3H2
InChIKeyRWCWFQNNYZXFIT-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.62
Rot. Bonds2

About 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzaldehyde

4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzaldehyde (PubChem CID 14097198) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzaldehyde.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzaldehyde
PubChem CID14097198
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzaldehyde
SMILESO=Cc1ccc(C2CCCc3cncn32)cc1
InChIInChI=1S/C14H14N2O/c17-9-11-4-6-12(7-5-11)14-3-1-2-13-8-15-10-16(13)14/h4-10,14H,1-3H2
InChIKeyRWCWFQNNYZXFIT-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzaldehyde?
The IUPAC name of 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzaldehyde (CID 14097198) is 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzaldehyde.
What is the SMILES notation for 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzaldehyde?
The canonical SMILES for 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzaldehyde is O=Cc1ccc(C2CCCc3cncn32)cc1.
What is the InChIKey of 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzaldehyde?
The InChIKey is RWCWFQNNYZXFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-9-11-4-6-12(7-5-11)14-3-1-2-13-8-15-10-16(13)14/h4-10,14H,1-3H2.
What are the key properties of 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzaldehyde?
4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzaldehyde has a molecular weight of 226.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzaldehyde is sourced from PubChem (CID 14097198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).