4,5-dichloro-1-(methoxymethyl)imidazole-2-carbaldehyde

C6H6Cl2N2O2 — CID 14455734

IUPAC4,5-dichloro-1-(methoxymethyl)imidazole-2-carbaldehyde
SMILESCOCn1c(C=O)nc(Cl)c1Cl
InChIInChI=1S/C6H6Cl2N2O2/c1-12-3-10-4(2-11)9-5(7)6(10)8/h2H,3H2,1H3
InChIKeyXZYBUNUHOUPMCJ-UHFFFAOYSA-N
MW209.03 g/mol
LogP1.61
Rot. Bonds3

About 4,5-dichloro-1-(methoxymethyl)imidazole-2-carbaldehyde

4,5-dichloro-1-(methoxymethyl)imidazole-2-carbaldehyde (PubChem CID 14455734) has the molecular formula C6H6Cl2N2O2 and a molecular weight of 209.03 g/mol. Its IUPAC name is 4,5-dichloro-1-(methoxymethyl)imidazole-2-carbaldehyde.

Molecular Properties

Compound Name4,5-dichloro-1-(methoxymethyl)imidazole-2-carbaldehyde
PubChem CID14455734
Molecular FormulaC6H6Cl2N2O2
Molecular Weight209.03 g/mol
Exact Mass207.98
IUPAC Name4,5-dichloro-1-(methoxymethyl)imidazole-2-carbaldehyde
SMILESCOCn1c(C=O)nc(Cl)c1Cl
InChIInChI=1S/C6H6Cl2N2O2/c1-12-3-10-4(2-11)9-5(7)6(10)8/h2H,3H2,1H3
InChIKeyXZYBUNUHOUPMCJ-UHFFFAOYSA-N
XLogP1.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.03
LogP ≤ 51.61
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 4,5-dichloro-1-(methoxymethyl)imidazole-2-carbaldehyde?
The IUPAC name of 4,5-dichloro-1-(methoxymethyl)imidazole-2-carbaldehyde (CID 14455734) is 4,5-dichloro-1-(methoxymethyl)imidazole-2-carbaldehyde.
What is the SMILES notation for 4,5-dichloro-1-(methoxymethyl)imidazole-2-carbaldehyde?
The canonical SMILES for 4,5-dichloro-1-(methoxymethyl)imidazole-2-carbaldehyde is COCn1c(C=O)nc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-(methoxymethyl)imidazole-2-carbaldehyde?
The InChIKey is XZYBUNUHOUPMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O2/c1-12-3-10-4(2-11)9-5(7)6(10)8/h2H,3H2,1H3.
What are the key properties of 4,5-dichloro-1-(methoxymethyl)imidazole-2-carbaldehyde?
4,5-dichloro-1-(methoxymethyl)imidazole-2-carbaldehyde has a molecular weight of 209.03 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-(methoxymethyl)imidazole-2-carbaldehyde is sourced from PubChem (CID 14455734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).