1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde

C11H11N3O — CID 62221205

IUPAC1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde
SMILESO=Cc1nccn1CCc1ccccn1
InChIInChI=1S/C11H11N3O/c15-9-11-13-6-8-14(11)7-4-10-3-1-2-5-12-10/h1-3,5-6,8-9H,4,7H2
InChIKeyNZYRNXGBERJPSE-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.33
Rot. Bonds4

About 1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde

1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde (PubChem CID 62221205) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde
PubChem CID62221205
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde
SMILESO=Cc1nccn1CCc1ccccn1
InChIInChI=1S/C11H11N3O/c15-9-11-13-6-8-14(11)7-4-10-3-1-2-5-12-10/h1-3,5-6,8-9H,4,7H2
InChIKeyNZYRNXGBERJPSE-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

1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
N-cyclopentyl-1-(2-pyridin-2-ylethyl)imidazol-2-amine
CID 106554398
1-(5-hydroxypentyl)imidazole-2-carbaldehyde
CID 62229411
1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde
CID 23079305
2-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
CID 66404435
N,N-dimethyl-5-[1-(2-pyridin-2-ylethyl)imidazol-2-yl]pyrimidin-2-amine
CID 56870823
1-(pyridin-2-ylmethyl)pyrrole-2-carbaldehyde
CID 3791494
1-(2-pyridin-2-ylethyl)-2-sulfanylidenepyrimidin-4-one
CID 62403256
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid
CID 102604824
5-pyridin-2-ylpentanal
CID 13416615

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde?
The IUPAC name of 1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde (CID 62221205) is 1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde.
What is the SMILES notation for 1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde?
The canonical SMILES for 1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde is O=Cc1nccn1CCc1ccccn1.
What is the InChIKey of 1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde?
The InChIKey is NZYRNXGBERJPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c15-9-11-13-6-8-14(11)7-4-10-3-1-2-5-12-10/h1-3,5-6,8-9H,4,7H2.
What are the key properties of 1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde?
1-(2-pyridin-2-ylethyl)imidazole-2-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 1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde is sourced from PubChem (CID 62221205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).