3-ethyl-5-[4-(trifluoromethyl)phenyl]-2,4-dihydroimidazole

C12H13F3N2 — CID 123589450

IUPAC3-ethyl-5-[4-(trifluoromethyl)phenyl]-2,4-dihydroimidazole
SMILESCCN1CN=C(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C12H13F3N2/c1-2-17-7-11(16-8-17)9-3-5-10(6-4-9)12(13,14)15/h3-6H,2,7-8H2,1H3
InChIKeyAWECWFNAQIAAEO-UHFFFAOYSA-N
MW242.24 g/mol
LogP2.79
Rot. Bonds2

About 3-ethyl-5-[4-(trifluoromethyl)phenyl]-2,4-dihydroimidazole

3-ethyl-5-[4-(trifluoromethyl)phenyl]-2,4-dihydroimidazole (PubChem CID 123589450) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 3-ethyl-5-[4-(trifluoromethyl)phenyl]-2,4-dihydroimidazole.

Molecular Properties

Compound Name3-ethyl-5-[4-(trifluoromethyl)phenyl]-2,4-dihydroimidazole
PubChem CID123589450
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name3-ethyl-5-[4-(trifluoromethyl)phenyl]-2,4-dihydroimidazole
SMILESCCN1CN=C(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C12H13F3N2/c1-2-17-7-11(16-8-17)9-3-5-10(6-4-9)12(13,14)15/h3-6H,2,7-8H2,1H3
InChIKeyAWECWFNAQIAAEO-UHFFFAOYSA-N
XLogP2.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 71665450
2-Phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine
CID 91446839
3-Benzyl-5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dihydroimidazole
CID 138964699
5-(p-Tolyl)-3,4-dihydro-2H-pyrrole
CID 12327449
2-Methyl-3-[4-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene
CID 24733374
5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole
CID 12162876
(2R)-2-methyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole
CID 53386586
4-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazole
CID 57077686
4-(2-fluorophenyl)-2,5-dihydro-1H-imidazole
CID 57274818
N,N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diimine
CID 59194396
3-Methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
CID 69171311
2-Phenyl-4-(trifluoromethyl)-1-pyrroline
CID 71607945

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[4-(trifluoromethyl)phenyl]-2,4-dihydroimidazole?
The IUPAC name of 3-ethyl-5-[4-(trifluoromethyl)phenyl]-2,4-dihydroimidazole (CID 123589450) is 3-ethyl-5-[4-(trifluoromethyl)phenyl]-2,4-dihydroimidazole.
What is the SMILES notation for 3-ethyl-5-[4-(trifluoromethyl)phenyl]-2,4-dihydroimidazole?
The canonical SMILES for 3-ethyl-5-[4-(trifluoromethyl)phenyl]-2,4-dihydroimidazole is CCN1CN=C(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 3-ethyl-5-[4-(trifluoromethyl)phenyl]-2,4-dihydroimidazole?
The InChIKey is AWECWFNAQIAAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2/c1-2-17-7-11(16-8-17)9-3-5-10(6-4-9)12(13,14)15/h3-6H,2,7-8H2,1H3.
What are the key properties of 3-ethyl-5-[4-(trifluoromethyl)phenyl]-2,4-dihydroimidazole?
3-ethyl-5-[4-(trifluoromethyl)phenyl]-2,4-dihydroimidazole has a molecular weight of 242.24 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[4-(trifluoromethyl)phenyl]-2,4-dihydroimidazole is sourced from PubChem (CID 123589450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).