3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]aniline

C21H17F2N3 — CID 44573565

IUPAC3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]aniline
SMILESNc1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1
InChIInChI=1S/C21H17F2N3/c22-17-8-4-15(5-9-17)21(16-6-10-18(23)11-7-16)13-25-20(26-21)14-2-1-3-19(24)12-14/h1-12H,13,24H2,(H,25,26)
InChIKeyAKLBSCADPIQMBC-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.84
Rot. Bonds3

About 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]aniline

3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]aniline (PubChem CID 44573565) has the molecular formula C21H17F2N3 and a molecular weight of 349.38 g/mol. Its IUPAC name is 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]aniline.

Molecular Properties

Compound Name3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]aniline
PubChem CID44573565
Molecular FormulaC21H17F2N3
Molecular Weight349.38 g/mol
Exact Mass349.14
IUPAC Name3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]aniline
SMILESNc1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1
InChIInChI=1S/C21H17F2N3/c22-17-8-4-15(5-9-17)21(16-6-10-18(23)11-7-16)13-25-20(26-21)14-2-1-3-19(24)12-14/h1-12H,13,24H2,(H,25,26)
InChIKeyAKLBSCADPIQMBC-UHFFFAOYSA-N
XLogP3.84
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]aniline?
The IUPAC name of 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]aniline (CID 44573565) is 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]aniline.
What is the SMILES notation for 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]aniline?
The canonical SMILES for 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]aniline is Nc1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1.
What is the InChIKey of 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]aniline?
The InChIKey is AKLBSCADPIQMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3/c22-17-8-4-15(5-9-17)21(16-6-10-18(23)11-7-16)13-25-20(26-21)14-2-1-3-19(24)12-14/h1-12H,13,24H2,(H,25,26).
What are the key properties of 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]aniline?
3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]aniline has a molecular weight of 349.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]aniline is sourced from PubChem (CID 44573565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).