3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde

C11H11N3O — CID 66148661

IUPAC3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde
SMILESO=Cc1cncn1CCc1cccnc1
InChIInChI=1S/C11H11N3O/c15-8-11-7-13-9-14(11)5-3-10-2-1-4-12-6-10/h1-2,4,6-9H,3,5H2
InChIKeyXYMUCMCMBQJRIB-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.33
Rot. Bonds4

About 3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde

3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde (PubChem CID 66148661) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde
PubChem CID66148661
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde
SMILESO=Cc1cncn1CCc1cccnc1
InChIInChI=1S/C11H11N3O/c15-8-11-7-13-9-14(11)5-3-10-2-1-4-12-6-10/h1-2,4,6-9H,3,5H2
InChIKeyXYMUCMCMBQJRIB-UHFFFAOYSA-N
XLogP1.33
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine
CID 66152277
3-(2-thiophen-3-ylethyl)imidazole-4-carbaldehyde
CID 66146790
5-iodo-3-(2-pyridin-3-ylethyl)pyrimidin-4-one
CID 66310563
1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde
CID 102910182
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
3-(2-pyrrolidin-1-ylethyl)imidazole-4-carbaldehyde
CID 66145744
N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine
CID 66131160
4-fluoro-1-(2-pyridin-3-ylethyl)indole
CID 82794108
1-(2-pyridin-3-ylethyl)pyrrolidin-2-one
CID 59074969
1-propyl-4-(2-pyridin-3-ylethyl)piperazine
CID 171561190
5-methyl-3-(2-pyridin-3-ylethyl)-1H-imidazole-2-thione
CID 81334784
6-bromo-1-(2-pyridin-3-ylethyl)benzimidazole
CID 90412852

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde?
The IUPAC name of 3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde (CID 66148661) is 3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde.
What is the SMILES notation for 3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde?
The canonical SMILES for 3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde is O=Cc1cncn1CCc1cccnc1.
What is the InChIKey of 3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde?
The InChIKey is XYMUCMCMBQJRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c15-8-11-7-13-9-14(11)5-3-10-2-1-4-12-6-10/h1-2,4,6-9H,3,5H2.
What are the key properties of 3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde?
3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde has a molecular weight of 201.23 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde is sourced from PubChem (CID 66148661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).