1-(2-fluoroethyl)benzimidazole-2-carbaldehyde

C10H9FN2O — CID 15072056

IUPAC1-(2-fluoroethyl)benzimidazole-2-carbaldehyde
SMILESO=Cc1nc2ccccc2n1CCF
InChIInChI=1S/C10H9FN2O/c11-5-6-13-9-4-2-1-3-8(9)12-10(13)7-14/h1-4,7H,5-6H2
InChIKeyDBBZGJOGVOQDKG-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.82
Rot. Bonds3

About 1-(2-fluoroethyl)benzimidazole-2-carbaldehyde

1-(2-fluoroethyl)benzimidazole-2-carbaldehyde (PubChem CID 15072056) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 1-(2-fluoroethyl)benzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-(2-fluoroethyl)benzimidazole-2-carbaldehyde
PubChem CID15072056
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name1-(2-fluoroethyl)benzimidazole-2-carbaldehyde
SMILESO=Cc1nc2ccccc2n1CCF
InChIInChI=1S/C10H9FN2O/c11-5-6-13-9-4-2-1-3-8(9)12-10(13)7-14/h1-4,7H,5-6H2
InChIKeyDBBZGJOGVOQDKG-UHFFFAOYSA-N
XLogP1.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-fluoroethyl)benzimidazole-2-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)benzimidazole-2-carbaldehyde?
The IUPAC name of 1-(2-fluoroethyl)benzimidazole-2-carbaldehyde (CID 15072056) is 1-(2-fluoroethyl)benzimidazole-2-carbaldehyde.
What is the SMILES notation for 1-(2-fluoroethyl)benzimidazole-2-carbaldehyde?
The canonical SMILES for 1-(2-fluoroethyl)benzimidazole-2-carbaldehyde is O=Cc1nc2ccccc2n1CCF.
What is the InChIKey of 1-(2-fluoroethyl)benzimidazole-2-carbaldehyde?
The InChIKey is DBBZGJOGVOQDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-5-6-13-9-4-2-1-3-8(9)12-10(13)7-14/h1-4,7H,5-6H2.
What are the key properties of 1-(2-fluoroethyl)benzimidazole-2-carbaldehyde?
1-(2-fluoroethyl)benzimidazole-2-carbaldehyde has a molecular weight of 192.19 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)benzimidazole-2-carbaldehyde is sourced from PubChem (CID 15072056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).