2-(2,5-difluorophenoxy)-3-methylimidazole-4-carbaldehyde

C11H8F2N2O2 — CID 155416346

IUPAC2-(2,5-difluorophenoxy)-3-methylimidazole-4-carbaldehyde
SMILESCn1c(C=O)cnc1Oc1cc(F)ccc1F
InChIInChI=1S/C11H8F2N2O2/c1-15-8(6-16)5-14-11(15)17-10-4-7(12)2-3-9(10)13/h2-6H,1H3
InChIKeyPBTACDUYKIVDRK-UHFFFAOYSA-N
MW238.19 g/mol
LogP2.30
Rot. Bonds3

About 2-(2,5-difluorophenoxy)-3-methylimidazole-4-carbaldehyde

2-(2,5-difluorophenoxy)-3-methylimidazole-4-carbaldehyde (PubChem CID 155416346) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-3-methylimidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-3-methylimidazole-4-carbaldehyde
PubChem CID155416346
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name2-(2,5-difluorophenoxy)-3-methylimidazole-4-carbaldehyde
SMILESCn1c(C=O)cnc1Oc1cc(F)ccc1F
InChIInChI=1S/C11H8F2N2O2/c1-15-8(6-16)5-14-11(15)17-10-4-7(12)2-3-9(10)13/h2-6H,1H3
InChIKeyPBTACDUYKIVDRK-UHFFFAOYSA-N
XLogP2.30
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2,5-difluorophenoxy)-3-methylimidazole-4-carbaldehyde?
The IUPAC name of 2-(2,5-difluorophenoxy)-3-methylimidazole-4-carbaldehyde (CID 155416346) is 2-(2,5-difluorophenoxy)-3-methylimidazole-4-carbaldehyde.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-3-methylimidazole-4-carbaldehyde?
The canonical SMILES for 2-(2,5-difluorophenoxy)-3-methylimidazole-4-carbaldehyde is Cn1c(C=O)cnc1Oc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenoxy)-3-methylimidazole-4-carbaldehyde?
The InChIKey is PBTACDUYKIVDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c1-15-8(6-16)5-14-11(15)17-10-4-7(12)2-3-9(10)13/h2-6H,1H3.
What are the key properties of 2-(2,5-difluorophenoxy)-3-methylimidazole-4-carbaldehyde?
2-(2,5-difluorophenoxy)-3-methylimidazole-4-carbaldehyde has a molecular weight of 238.19 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenoxy)-3-methylimidazole-4-carbaldehyde is sourced from PubChem (CID 155416346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).