1-(fluoromethyl)benzimidazole-2-carbaldehyde

C9H7FN2O — CID 15072055

IUPAC1-(fluoromethyl)benzimidazole-2-carbaldehyde
SMILESO=Cc1nc2ccccc2n1CF
InChIInChI=1S/C9H7FN2O/c10-6-12-8-4-2-1-3-7(8)11-9(12)5-13/h1-5H,6H2
InChIKeyVTQOBFGEGKBEAK-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.78
Rot. Bonds2

About 1-(fluoromethyl)benzimidazole-2-carbaldehyde

1-(fluoromethyl)benzimidazole-2-carbaldehyde (PubChem CID 15072055) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 1-(fluoromethyl)benzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-(fluoromethyl)benzimidazole-2-carbaldehyde
PubChem CID15072055
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name1-(fluoromethyl)benzimidazole-2-carbaldehyde
SMILESO=Cc1nc2ccccc2n1CF
InChIInChI=1S/C9H7FN2O/c10-6-12-8-4-2-1-3-7(8)11-9(12)5-13/h1-5H,6H2
InChIKeyVTQOBFGEGKBEAK-UHFFFAOYSA-N
XLogP1.78
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)benzimidazole-2-carbaldehyde?
The IUPAC name of 1-(fluoromethyl)benzimidazole-2-carbaldehyde (CID 15072055) is 1-(fluoromethyl)benzimidazole-2-carbaldehyde.
What is the SMILES notation for 1-(fluoromethyl)benzimidazole-2-carbaldehyde?
The canonical SMILES for 1-(fluoromethyl)benzimidazole-2-carbaldehyde is O=Cc1nc2ccccc2n1CF.
What is the InChIKey of 1-(fluoromethyl)benzimidazole-2-carbaldehyde?
The InChIKey is VTQOBFGEGKBEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c10-6-12-8-4-2-1-3-7(8)11-9(12)5-13/h1-5H,6H2.
What are the key properties of 1-(fluoromethyl)benzimidazole-2-carbaldehyde?
1-(fluoromethyl)benzimidazole-2-carbaldehyde has a molecular weight of 178.17 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)benzimidazole-2-carbaldehyde is sourced from PubChem (CID 15072055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).