7-(difluoromethoxy)-1H-benzimidazole-4-carbaldehyde

C9H6F2N2O2 — CID 131545387

IUPAC7-(difluoromethoxy)-1H-benzimidazole-4-carbaldehyde
SMILESO=Cc1ccc(OC(F)F)c2[nH]cnc12
InChIInChI=1S/C9H6F2N2O2/c10-9(11)15-6-2-1-5(3-14)7-8(6)13-4-12-7/h1-4,9H,(H,12,13)
InChIKeyOJXUDOCPVGKXGE-UHFFFAOYSA-N
MW212.16 g/mol
LogP1.98
Rot. Bonds3

About 7-(difluoromethoxy)-1H-benzimidazole-4-carbaldehyde

7-(difluoromethoxy)-1H-benzimidazole-4-carbaldehyde (PubChem CID 131545387) has the molecular formula C9H6F2N2O2 and a molecular weight of 212.16 g/mol. Its IUPAC name is 7-(difluoromethoxy)-1H-benzimidazole-4-carbaldehyde.

Molecular Properties

Compound Name7-(difluoromethoxy)-1H-benzimidazole-4-carbaldehyde
PubChem CID131545387
Molecular FormulaC9H6F2N2O2
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name7-(difluoromethoxy)-1H-benzimidazole-4-carbaldehyde
SMILESO=Cc1ccc(OC(F)F)c2[nH]cnc12
InChIInChI=1S/C9H6F2N2O2/c10-9(11)15-6-2-1-5(3-14)7-8(6)13-4-12-7/h1-4,9H,(H,12,13)
InChIKeyOJXUDOCPVGKXGE-UHFFFAOYSA-N
XLogP1.98
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 51.98
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 7-(difluoromethoxy)-1H-benzimidazole-4-carbaldehyde?
The IUPAC name of 7-(difluoromethoxy)-1H-benzimidazole-4-carbaldehyde (CID 131545387) is 7-(difluoromethoxy)-1H-benzimidazole-4-carbaldehyde.
What is the SMILES notation for 7-(difluoromethoxy)-1H-benzimidazole-4-carbaldehyde?
The canonical SMILES for 7-(difluoromethoxy)-1H-benzimidazole-4-carbaldehyde is O=Cc1ccc(OC(F)F)c2[nH]cnc12.
What is the InChIKey of 7-(difluoromethoxy)-1H-benzimidazole-4-carbaldehyde?
The InChIKey is OJXUDOCPVGKXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O2/c10-9(11)15-6-2-1-5(3-14)7-8(6)13-4-12-7/h1-4,9H,(H,12,13).
What are the key properties of 7-(difluoromethoxy)-1H-benzimidazole-4-carbaldehyde?
7-(difluoromethoxy)-1H-benzimidazole-4-carbaldehyde has a molecular weight of 212.16 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-1H-benzimidazole-4-carbaldehyde is sourced from PubChem (CID 131545387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).