2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde

C14H11N3O — CID 89031622

IUPAC2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde
SMILESO=CCn1c(-c2ccccn2)nc2ccccc21
InChIInChI=1S/C14H11N3O/c18-10-9-17-13-7-2-1-5-11(13)16-14(17)12-6-3-4-8-15-12/h1-8,10H,9H2
InChIKeyDBPPTVDPENKLOL-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.30
Rot. Bonds3

About 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde

2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde (PubChem CID 89031622) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde
PubChem CID89031622
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde
SMILESO=CCn1c(-c2ccccn2)nc2ccccc21
InChIInChI=1S/C14H11N3O/c18-10-9-17-13-7-2-1-5-11(13)16-14(17)12-6-3-4-8-15-12/h1-8,10H,9H2
InChIKeyDBPPTVDPENKLOL-UHFFFAOYSA-N
XLogP2.30
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.30
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

N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 3673852
1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole
CID 3984875
1,2-dipyridin-2-ylbenzimidazole
CID 122179936
4-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
CID 86781728
1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole
CID 67473012
N-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 30867708
2-pyridin-2-yl-1-[2,4,6-trimethyl-3,5-bis(2-pyridin-2-ylbenzimidazol-1-yl)phenyl]benzimidazole
CID 89180674
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 46970759
methyl 2-[2-hydroxy-3-[[2-(2-pyridin-2-ylbenzimidazol-1-yl)acetyl]diazenyl]indol-1-yl]acetate
CID 3755170
cobalt(3+);1-[2-[6-[1-[(dimethylamino)methyl]benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]-N,N-dimethylmethanamine;trichloride
CID 70012998
2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde
CID 121211744
1-[2-[6-[1-[(dimethylamino)methyl]benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]-N,N-dimethylmethanamine;neodymium(3+);trichloride
CID 173243474

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde?
The IUPAC name of 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde (CID 89031622) is 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde is O=CCn1c(-c2ccccn2)nc2ccccc21.
What is the InChIKey of 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde?
The InChIKey is DBPPTVDPENKLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-10-9-17-13-7-2-1-5-11(13)16-14(17)12-6-3-4-8-15-12/h1-8,10H,9H2.
What are the key properties of 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde?
2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde has a molecular weight of 237.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde is sourced from PubChem (CID 89031622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).