3-benzyl-5-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydroimidazole

C16H11F5N2 — CID 138964698

IUPAC3-benzyl-5-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydroimidazole
SMILESFc1c(F)c(F)c(C2=NCN(Cc3ccccc3)C2)c(F)c1F
InChIInChI=1S/C16H11F5N2/c17-12-11(13(18)15(20)16(21)14(12)19)10-7-23(8-22-10)6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyYKPFVLBTJLJUNT-UHFFFAOYSA-N
MW326.27 g/mol
LogP3.64
Rot. Bonds3

About 3-benzyl-5-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydroimidazole

3-benzyl-5-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydroimidazole (PubChem CID 138964698) has the molecular formula C16H11F5N2 and a molecular weight of 326.27 g/mol. Its IUPAC name is 3-benzyl-5-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydroimidazole.

Molecular Properties

Compound Name3-benzyl-5-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydroimidazole
PubChem CID138964698
Molecular FormulaC16H11F5N2
Molecular Weight326.27 g/mol
Exact Mass326.08
IUPAC Name3-benzyl-5-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydroimidazole
SMILESFc1c(F)c(F)c(C2=NCN(Cc3ccccc3)C2)c(F)c1F
InChIInChI=1S/C16H11F5N2/c17-12-11(13(18)15(20)16(21)14(12)19)10-7-23(8-22-10)6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyYKPFVLBTJLJUNT-UHFFFAOYSA-N
XLogP3.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-5,5-dimethyl-4-phenyl-2,5-dihydro-1H-imidazol-1-ol
CID 3235663
2-(2-fluorophenyl)-5,5-dimethyl-4-phenyl-2,5-dihydro-1H-imidazol-1-ol
CID 2834174
(5S,6R)-6-(4-fluorophenyl)-2,2-dimethyl-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 26477346
2-(4-Fluorophenyl)-1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazole
CID 46196874
2-Phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine
CID 91446839
N-benzyl-1-(4-fluorophenyl)-4-isocyanobutan-1-imine
CID 135072245
3-Benzyl-5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dihydroimidazole
CID 138964699
2-(4-fluorophenyl)-2,5-dimethyl-4-phenyl-2,5-dihydro-1H-imidazol-1-ol 3-oxide
CID 2888167
4-(4-fluorophenyl)-2,5-dimethyl-2-phenyl-2,5-dihydro-1H-imidazol-1-ol 3-oxide
CID 2917389
2-(4-fluorophenyl)-1-hydroxy-5,5-dimethyl-4-phenyl-2,5-dihydro-1H-imidazol-3-ium-3-olate
CID 5095175
1-Benzyl-2-(2,6-difluorophenyl)-4,5-dihydroimidazole
CID 76327310
1-Methyl-4,6-diphenyl-2,2-bis(trifluoromethyl)-1,3,5-triazine
CID 12520993

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydroimidazole?
The IUPAC name of 3-benzyl-5-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydroimidazole (CID 138964698) is 3-benzyl-5-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydroimidazole.
What is the SMILES notation for 3-benzyl-5-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydroimidazole?
The canonical SMILES for 3-benzyl-5-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydroimidazole is Fc1c(F)c(F)c(C2=NCN(Cc3ccccc3)C2)c(F)c1F.
What is the InChIKey of 3-benzyl-5-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydroimidazole?
The InChIKey is YKPFVLBTJLJUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N2/c17-12-11(13(18)15(20)16(21)14(12)19)10-7-23(8-22-10)6-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 3-benzyl-5-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydroimidazole?
3-benzyl-5-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydroimidazole has a molecular weight of 326.27 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydroimidazole is sourced from PubChem (CID 138964698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).