1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde

C13H11F3N2O — CID 15288233

IUPAC1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
SMILESCc1c(C=O)nc(-c2ccc(C(F)(F)F)cc2)n1C
InChIInChI=1S/C13H11F3N2O/c1-8-11(7-19)17-12(18(8)2)9-3-5-10(6-4-9)13(14,15)16/h3-7H,1-2H3
InChIKeyWZUXJTQUJJDBCV-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.23
Rot. Bonds2

About 1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde

1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde (PubChem CID 15288233) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde.

Molecular Properties

Compound Name1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
PubChem CID15288233
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
SMILESCc1c(C=O)nc(-c2ccc(C(F)(F)F)cc2)n1C
InChIInChI=1S/C13H11F3N2O/c1-8-11(7-19)17-12(18(8)2)9-3-5-10(6-4-9)13(14,15)16/h3-7H,1-2H3
InChIKeyWZUXJTQUJJDBCV-UHFFFAOYSA-N
XLogP3.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4,5-diiodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole
CID 67133119
2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole
CID 53244019
[3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazol-4-yl]methanol
CID 122476397
3-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid
CID 140509455
4-chloro-2-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-5-carbaldehyde
CID 80727014
1-methyl-2,5-diphenylimidazole-4-carbaldehyde
CID 14924912
5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbaldehyde
CID 122477140
4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole
CID 172992944
ethyl 5-iodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylate
CID 135222439
3-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde
CID 87324786
1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole
CID 66614356
4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde
CID 162550853

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde?
The IUPAC name of 1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde (CID 15288233) is 1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde.
What is the SMILES notation for 1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde?
The canonical SMILES for 1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde is Cc1c(C=O)nc(-c2ccc(C(F)(F)F)cc2)n1C.
What is the InChIKey of 1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde?
The InChIKey is WZUXJTQUJJDBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-8-11(7-19)17-12(18(8)2)9-3-5-10(6-4-9)13(14,15)16/h3-7H,1-2H3.
What are the key properties of 1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde?
1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde has a molecular weight of 268.24 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde is sourced from PubChem (CID 15288233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).