4-(difluoromethyl)-5-methyl-1H-imidazole-2-carbaldehyde

C6H6F2N2O — CID 84764204

IUPAC4-(difluoromethyl)-5-methyl-1H-imidazole-2-carbaldehyde
SMILESCc1[nH]c(C=O)nc1C(F)F
InChIInChI=1S/C6H6F2N2O/c1-3-5(6(7)8)10-4(2-11)9-3/h2,6H,1H3,(H,9,10)
InChIKeyOFELRENWIHAURF-UHFFFAOYSA-N
MW160.12 g/mol
LogP1.47
Rot. Bonds2

About 4-(difluoromethyl)-5-methyl-1H-imidazole-2-carbaldehyde

4-(difluoromethyl)-5-methyl-1H-imidazole-2-carbaldehyde (PubChem CID 84764204) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methyl-1H-imidazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methyl-1H-imidazole-2-carbaldehyde
PubChem CID84764204
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name4-(difluoromethyl)-5-methyl-1H-imidazole-2-carbaldehyde
SMILESCc1[nH]c(C=O)nc1C(F)F
InChIInChI=1S/C6H6F2N2O/c1-3-5(6(7)8)10-4(2-11)9-3/h2,6H,1H3,(H,9,10)
InChIKeyOFELRENWIHAURF-UHFFFAOYSA-N
XLogP1.47
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(difluoromethyl)-5-methyl-1H-imidazole-2-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-5-methyl-1H-imidazole-2-carbaldehyde (CID 84764204) is 4-(difluoromethyl)-5-methyl-1H-imidazole-2-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-5-methyl-1H-imidazole-2-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-5-methyl-1H-imidazole-2-carbaldehyde is Cc1[nH]c(C=O)nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methyl-1H-imidazole-2-carbaldehyde?
The InChIKey is OFELRENWIHAURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c1-3-5(6(7)8)10-4(2-11)9-3/h2,6H,1H3,(H,9,10).
What are the key properties of 4-(difluoromethyl)-5-methyl-1H-imidazole-2-carbaldehyde?
4-(difluoromethyl)-5-methyl-1H-imidazole-2-carbaldehyde has a molecular weight of 160.12 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methyl-1H-imidazole-2-carbaldehyde is sourced from PubChem (CID 84764204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).