2-butan-2-yl-8-ethylimidazo[1,2-a]pyridine-3-carbaldehyde

C14H18N2O — CID 165493194

IUPAC2-butan-2-yl-8-ethylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCc1cccn2c(C=O)c(C(C)CC)nc12
InChIInChI=1S/C14H18N2O/c1-4-10(3)13-12(9-17)16-8-6-7-11(5-2)14(16)15-13/h6-10H,4-5H2,1-3H3
InChIKeyPWAJGRYDIWVNDP-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.22
Rot. Bonds4

About 2-butan-2-yl-8-ethylimidazo[1,2-a]pyridine-3-carbaldehyde

2-butan-2-yl-8-ethylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 165493194) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-butan-2-yl-8-ethylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-butan-2-yl-8-ethylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID165493194
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-butan-2-yl-8-ethylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCc1cccn2c(C=O)c(C(C)CC)nc12
InChIInChI=1S/C14H18N2O/c1-4-10(3)13-12(9-17)16-8-6-7-11(5-2)14(16)15-13/h6-10H,4-5H2,1-3H3
InChIKeyPWAJGRYDIWVNDP-UHFFFAOYSA-N
XLogP3.22
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.22
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-butan-2-yl-8-ethylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-butan-2-yl-8-ethylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 165493194) is 2-butan-2-yl-8-ethylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-butan-2-yl-8-ethylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-butan-2-yl-8-ethylimidazo[1,2-a]pyridine-3-carbaldehyde is CCc1cccn2c(C=O)c(C(C)CC)nc12.
What is the InChIKey of 2-butan-2-yl-8-ethylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is PWAJGRYDIWVNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-10(3)13-12(9-17)16-8-6-7-11(5-2)14(16)15-13/h6-10H,4-5H2,1-3H3.
What are the key properties of 2-butan-2-yl-8-ethylimidazo[1,2-a]pyridine-3-carbaldehyde?
2-butan-2-yl-8-ethylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 230.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-8-ethylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 165493194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).