5-chloro-3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde

C12H8ClF3N2O2 — CID 13065513

IUPAC5-chloro-3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
SMILESCn1c(C=O)c(Cl)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C12H8ClF3N2O2/c1-17-9(6-19)10(13)18(11(17)20)8-4-2-3-7(5-8)12(14,15)16/h2-6H,1H3
InChIKeyGHBJHPQZWNJGNK-UHFFFAOYSA-N
MW304.66 g/mol
LogP2.66
Rot. Bonds2

About 5-chloro-3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde

5-chloro-3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde (PubChem CID 13065513) has the molecular formula C12H8ClF3N2O2 and a molecular weight of 304.66 g/mol. Its IUPAC name is 5-chloro-3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
PubChem CID13065513
Molecular FormulaC12H8ClF3N2O2
Molecular Weight304.66 g/mol
Exact Mass304.02
IUPAC Name5-chloro-3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
SMILESCn1c(C=O)c(Cl)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C12H8ClF3N2O2/c1-17-9(6-19)10(13)18(11(17)20)8-4-2-3-7(5-8)12(14,15)16/h2-6H,1H3
InChIKeyGHBJHPQZWNJGNK-UHFFFAOYSA-N
XLogP2.66
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 52.66
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 5-chloro-3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde (CID 13065513) is 5-chloro-3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde is Cn1c(C=O)c(Cl)n(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 5-chloro-3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde?
The InChIKey is GHBJHPQZWNJGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2/c1-17-9(6-19)10(13)18(11(17)20)8-4-2-3-7(5-8)12(14,15)16/h2-6H,1H3.
What are the key properties of 5-chloro-3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde?
5-chloro-3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde has a molecular weight of 304.66 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde is sourced from PubChem (CID 13065513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).