2-[4-(2-fluorophenyl)-2-oxo-3H-benzimidazol-1-yl]acetaldehyde

C15H11FN2O2 — CID 58710672

IUPAC2-[4-(2-fluorophenyl)-2-oxo-3H-benzimidazol-1-yl]acetaldehyde
SMILESO=CCn1c(=O)[nH]c2c(-c3ccccc3F)cccc21
InChIInChI=1S/C15H11FN2O2/c16-12-6-2-1-4-10(12)11-5-3-7-13-14(11)17-15(20)18(13)8-9-19/h1-7,9H,8H2,(H,17,20)
InChIKeyHZXKUAHNBKJFIX-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.33
Rot. Bonds3

About 2-[4-(2-fluorophenyl)-2-oxo-3H-benzimidazol-1-yl]acetaldehyde

2-[4-(2-fluorophenyl)-2-oxo-3H-benzimidazol-1-yl]acetaldehyde (PubChem CID 58710672) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)-2-oxo-3H-benzimidazol-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)-2-oxo-3H-benzimidazol-1-yl]acetaldehyde
PubChem CID58710672
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name2-[4-(2-fluorophenyl)-2-oxo-3H-benzimidazol-1-yl]acetaldehyde
SMILESO=CCn1c(=O)[nH]c2c(-c3ccccc3F)cccc21
InChIInChI=1S/C15H11FN2O2/c16-12-6-2-1-4-10(12)11-5-3-7-13-14(11)17-15(20)18(13)8-9-19/h1-7,9H,8H2,(H,17,20)
InChIKeyHZXKUAHNBKJFIX-UHFFFAOYSA-N
XLogP2.33
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
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 2-[4-(2-fluorophenyl)-2-oxo-3H-benzimidazol-1-yl]acetaldehyde?
The IUPAC name of 2-[4-(2-fluorophenyl)-2-oxo-3H-benzimidazol-1-yl]acetaldehyde (CID 58710672) is 2-[4-(2-fluorophenyl)-2-oxo-3H-benzimidazol-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-(2-fluorophenyl)-2-oxo-3H-benzimidazol-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-(2-fluorophenyl)-2-oxo-3H-benzimidazol-1-yl]acetaldehyde is O=CCn1c(=O)[nH]c2c(-c3ccccc3F)cccc21.
What is the InChIKey of 2-[4-(2-fluorophenyl)-2-oxo-3H-benzimidazol-1-yl]acetaldehyde?
The InChIKey is HZXKUAHNBKJFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-12-6-2-1-4-10(12)11-5-3-7-13-14(11)17-15(20)18(13)8-9-19/h1-7,9H,8H2,(H,17,20).
What are the key properties of 2-[4-(2-fluorophenyl)-2-oxo-3H-benzimidazol-1-yl]acetaldehyde?
2-[4-(2-fluorophenyl)-2-oxo-3H-benzimidazol-1-yl]acetaldehyde has a molecular weight of 270.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)-2-oxo-3H-benzimidazol-1-yl]acetaldehyde is sourced from PubChem (CID 58710672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).