2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole

C11H11F3N2 — CID 18218

IUPAC2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1ccc(CC2=NCCN2)cc1
InChIInChI=1S/C11H11F3N2/c12-11(13,14)9-3-1-8(2-4-9)7-10-15-5-6-16-10/h1-4H,5-7H2,(H,15,16)
InChIKeyOXIKUCONSRWLPM-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.25
Rot. Bonds2

About 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole

2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole (PubChem CID 18218) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
PubChem CID18218
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1ccc(CC2=NCCN2)cc1
InChIInChI=1S/C11H11F3N2/c12-11(13,14)9-3-1-8(2-4-9)7-10-15-5-6-16-10/h1-4H,5-7H2,(H,15,16)
InChIKeyOXIKUCONSRWLPM-UHFFFAOYSA-N
XLogP2.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole (CID 18218) is 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole is FC(F)(F)c1ccc(CC2=NCCN2)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is OXIKUCONSRWLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c12-11(13,14)9-3-1-8(2-4-9)7-10-15-5-6-16-10/h1-4H,5-7H2,(H,15,16).
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 228.22 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 18218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).