2-propan-2-ylimidazo[1,2-a]pyridine-5-carbaldehyde

C11H12N2O — CID 82405072

IUPAC2-propan-2-ylimidazo[1,2-a]pyridine-5-carbaldehyde
SMILESCC(C)c1cn2c(C=O)cccc2n1
InChIInChI=1S/C11H12N2O/c1-8(2)10-6-13-9(7-14)4-3-5-11(13)12-10/h3-8H,1-2H3
InChIKeyBLAVPYRVPGQFHO-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.27
Rot. Bonds2

About 2-propan-2-ylimidazo[1,2-a]pyridine-5-carbaldehyde

2-propan-2-ylimidazo[1,2-a]pyridine-5-carbaldehyde (PubChem CID 82405072) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-propan-2-ylimidazo[1,2-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name2-propan-2-ylimidazo[1,2-a]pyridine-5-carbaldehyde
PubChem CID82405072
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-propan-2-ylimidazo[1,2-a]pyridine-5-carbaldehyde
SMILESCC(C)c1cn2c(C=O)cccc2n1
InChIInChI=1S/C11H12N2O/c1-8(2)10-6-13-9(7-14)4-3-5-11(13)12-10/h3-8H,1-2H3
InChIKeyBLAVPYRVPGQFHO-UHFFFAOYSA-N
XLogP2.27
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.27
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-propan-2-ylimidazo[1,2-a]pyridine-5-carbaldehyde?
The IUPAC name of 2-propan-2-ylimidazo[1,2-a]pyridine-5-carbaldehyde (CID 82405072) is 2-propan-2-ylimidazo[1,2-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 2-propan-2-ylimidazo[1,2-a]pyridine-5-carbaldehyde?
The canonical SMILES for 2-propan-2-ylimidazo[1,2-a]pyridine-5-carbaldehyde is CC(C)c1cn2c(C=O)cccc2n1.
What is the InChIKey of 2-propan-2-ylimidazo[1,2-a]pyridine-5-carbaldehyde?
The InChIKey is BLAVPYRVPGQFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8(2)10-6-13-9(7-14)4-3-5-11(13)12-10/h3-8H,1-2H3.
What are the key properties of 2-propan-2-ylimidazo[1,2-a]pyridine-5-carbaldehyde?
2-propan-2-ylimidazo[1,2-a]pyridine-5-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylimidazo[1,2-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 82405072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).