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

C18H14F6N2 — CID 138964699

IUPAC3-benzyl-5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dihydroimidazole
SMILESFC(F)(F)c1cc(C2=NCN(Cc3ccccc3)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H14F6N2/c19-17(20,21)14-6-13(7-15(8-14)18(22,23)24)16-10-26(11-25-16)9-12-4-2-1-3-5-12/h1-8H,9-11H2
InChIKeyPBRQZFIYMDYCRO-UHFFFAOYSA-N
MW372.31 g/mol
LogP4.99
Rot. Bonds3

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

3-benzyl-5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dihydroimidazole (PubChem CID 138964699) has the molecular formula C18H14F6N2 and a molecular weight of 372.31 g/mol. Its IUPAC name is 3-benzyl-5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dihydroimidazole.

Molecular Properties

Compound Name3-benzyl-5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dihydroimidazole
PubChem CID138964699
Molecular FormulaC18H14F6N2
Molecular Weight372.31 g/mol
Exact Mass372.11
IUPAC Name3-benzyl-5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dihydroimidazole
SMILESFC(F)(F)c1cc(C2=NCN(Cc3ccccc3)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H14F6N2/c19-17(20,21)14-6-13(7-15(8-14)18(22,23)24)16-10-26(11-25-16)9-12-4-2-1-3-5-12/h1-8H,9-11H2
InChIKeyPBRQZFIYMDYCRO-UHFFFAOYSA-N
XLogP4.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S,6R)-6-(4-fluorophenyl)-2,2-dimethyl-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 26477346
2-Phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine
CID 91446839
3-Benzyl-5-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydroimidazole
CID 138964698
2,2,2-trifluoro-N-[(3-methylphenyl)methyl]-1-phenylethanimine
CID 177850066
1-hydroxy-5,5-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2H-imidazole
CID 2884642
1-hydroxy-5,5-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-3-ium-3-olate
CID 46499349
1-Methyl-4,6-diphenyl-2,2-bis(trifluoromethyl)-1,3,5-triazine
CID 12520993
3,5-Diphenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole
CID 56590616
1-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine
CID 11417048
1-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-phenylethyl]ethanimine
CID 24890559
(3-Trifluoromethylbenzyl)-[1-(3-trifluoromethylbenzyl)-1H-pyridin-4-ylidene]amine
CID 24984379
1-Benzyl-4-[4-benzyl-2-(difluoromethyl)imidazol-2-yl]piperidine
CID 54275909

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dihydroimidazole?
The IUPAC name of 3-benzyl-5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dihydroimidazole (CID 138964699) is 3-benzyl-5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dihydroimidazole.
What is the SMILES notation for 3-benzyl-5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dihydroimidazole?
The canonical SMILES for 3-benzyl-5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dihydroimidazole is FC(F)(F)c1cc(C2=NCN(Cc3ccccc3)C2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-benzyl-5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dihydroimidazole?
The InChIKey is PBRQZFIYMDYCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N2/c19-17(20,21)14-6-13(7-15(8-14)18(22,23)24)16-10-26(11-25-16)9-12-4-2-1-3-5-12/h1-8H,9-11H2.
What are the key properties of 3-benzyl-5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dihydroimidazole?
3-benzyl-5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dihydroimidazole has a molecular weight of 372.31 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dihydroimidazole is sourced from PubChem (CID 138964699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).