1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carbaldehyde

C12H10N4O — CID 106716817

IUPAC1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carbaldehyde
SMILESO=Cc1cn(Cc2cn3ccccc3n2)cn1
InChIInChI=1S/C12H10N4O/c17-8-11-6-15(9-13-11)5-10-7-16-4-2-1-3-12(16)14-10/h1-4,6-9H,5H2
InChIKeyPZMVTSQXQSHMLN-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.39
Rot. Bonds3

About 1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carbaldehyde

1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carbaldehyde (PubChem CID 106716817) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carbaldehyde
PubChem CID106716817
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carbaldehyde
SMILESO=Cc1cn(Cc2cn3ccccc3n2)cn1
InChIInChI=1S/C12H10N4O/c17-8-11-6-15(9-13-11)5-10-7-16-4-2-1-3-12(16)14-10/h1-4,6-9H,5H2
InChIKeyPZMVTSQXQSHMLN-UHFFFAOYSA-N
XLogP1.39
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazol-4-yl]ethanamine
CID 79985990
N-[[1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719446
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde
CID 113384643
imidazo[1,2-a]pyridin-2-ylmethylazanium
CID 7012186
2-[chloro(dideuterio)methyl]imidazo[1,2-a]pyridine;hydrochloride
CID 164900290
1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 79109900
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
N-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 4701920
N-ethyl-1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79109628
4-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]benzaldehyde
CID 14042790
2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 7039929
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazol-2-yl]methanamine
CID 62221773

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carbaldehyde?
The IUPAC name of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carbaldehyde (CID 106716817) is 1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carbaldehyde.
What is the SMILES notation for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carbaldehyde?
The canonical SMILES for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carbaldehyde is O=Cc1cn(Cc2cn3ccccc3n2)cn1.
What is the InChIKey of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carbaldehyde?
The InChIKey is PZMVTSQXQSHMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c17-8-11-6-15(9-13-11)5-10-7-16-4-2-1-3-12(16)14-10/h1-4,6-9H,5H2.
What are the key properties of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carbaldehyde?
1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carbaldehyde has a molecular weight of 226.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carbaldehyde is sourced from PubChem (CID 106716817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).