2-(2,3-difluoroanilino)-1H-benzimidazole-4-carbaldehyde

C14H9F2N3O — CID 143395510

IUPAC2-(2,3-difluoroanilino)-1H-benzimidazole-4-carbaldehyde
SMILESO=Cc1cccc2[nH]c(Nc3cccc(F)c3F)nc12
InChIInChI=1S/C14H9F2N3O/c15-9-4-2-5-10(12(9)16)17-14-18-11-6-1-3-8(7-20)13(11)19-14/h1-7H,(H2,17,18,19)
InChIKeyUMWAEQVBXRSWCQ-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.40
Rot. Bonds3

About 2-(2,3-difluoroanilino)-1H-benzimidazole-4-carbaldehyde

2-(2,3-difluoroanilino)-1H-benzimidazole-4-carbaldehyde (PubChem CID 143395510) has the molecular formula C14H9F2N3O and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-(2,3-difluoroanilino)-1H-benzimidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(2,3-difluoroanilino)-1H-benzimidazole-4-carbaldehyde
PubChem CID143395510
Molecular FormulaC14H9F2N3O
Molecular Weight273.24 g/mol
Exact Mass273.07
IUPAC Name2-(2,3-difluoroanilino)-1H-benzimidazole-4-carbaldehyde
SMILESO=Cc1cccc2[nH]c(Nc3cccc(F)c3F)nc12
InChIInChI=1S/C14H9F2N3O/c15-9-4-2-5-10(12(9)16)17-14-18-11-6-1-3-8(7-20)13(11)19-14/h1-7H,(H2,17,18,19)
InChIKeyUMWAEQVBXRSWCQ-UHFFFAOYSA-N
XLogP3.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.40
H-Bond Donors ≤ 52
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-(2,3-difluoroanilino)-1H-benzimidazole-4-carbaldehyde?
The IUPAC name of 2-(2,3-difluoroanilino)-1H-benzimidazole-4-carbaldehyde (CID 143395510) is 2-(2,3-difluoroanilino)-1H-benzimidazole-4-carbaldehyde.
What is the SMILES notation for 2-(2,3-difluoroanilino)-1H-benzimidazole-4-carbaldehyde?
The canonical SMILES for 2-(2,3-difluoroanilino)-1H-benzimidazole-4-carbaldehyde is O=Cc1cccc2[nH]c(Nc3cccc(F)c3F)nc12.
What is the InChIKey of 2-(2,3-difluoroanilino)-1H-benzimidazole-4-carbaldehyde?
The InChIKey is UMWAEQVBXRSWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O/c15-9-4-2-5-10(12(9)16)17-14-18-11-6-1-3-8(7-20)13(11)19-14/h1-7H,(H2,17,18,19).
What are the key properties of 2-(2,3-difluoroanilino)-1H-benzimidazole-4-carbaldehyde?
2-(2,3-difluoroanilino)-1H-benzimidazole-4-carbaldehyde has a molecular weight of 273.24 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoroanilino)-1H-benzimidazole-4-carbaldehyde is sourced from PubChem (CID 143395510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).