5,5-bis(4-fluorophenyl)-2-(3-nitrophenyl)-1,4-dihydroimidazole

C21H15F2N3O2 — CID 10293081

IUPAC5,5-bis(4-fluorophenyl)-2-(3-nitrophenyl)-1,4-dihydroimidazole
SMILESO=[N+]([O-])c1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1
InChIInChI=1S/C21H15F2N3O2/c22-17-8-4-15(5-9-17)21(16-6-10-18(23)11-7-16)13-24-20(25-21)14-2-1-3-19(12-14)26(27)28/h1-12H,13H2,(H,24,25)
InChIKeyYPUNVQQHZAUQPF-UHFFFAOYSA-N
MW379.37 g/mol
LogP4.17
Rot. Bonds4

About 5,5-bis(4-fluorophenyl)-2-(3-nitrophenyl)-1,4-dihydroimidazole

5,5-bis(4-fluorophenyl)-2-(3-nitrophenyl)-1,4-dihydroimidazole (PubChem CID 10293081) has the molecular formula C21H15F2N3O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-2-(3-nitrophenyl)-1,4-dihydroimidazole.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-2-(3-nitrophenyl)-1,4-dihydroimidazole
PubChem CID10293081
Molecular FormulaC21H15F2N3O2
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Name5,5-bis(4-fluorophenyl)-2-(3-nitrophenyl)-1,4-dihydroimidazole
SMILESO=[N+]([O-])c1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1
InChIInChI=1S/C21H15F2N3O2/c22-17-8-4-15(5-9-17)21(16-6-10-18(23)11-7-16)13-24-20(25-21)14-2-1-3-19(12-14)26(27)28/h1-12H,13H2,(H,24,25)
InChIKeyYPUNVQQHZAUQPF-UHFFFAOYSA-N
XLogP4.17
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,5-dihydro-2-(3-nitrophenyl)-1H-imidazole
CID 720241
2-[2-(3-Nitro-biphenyl-2-yl)-ethyl]-4,5-dihydro-1H-imidazole
CID 25034507
3-(4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl)aniline
CID 44573565
3-(4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylaniline
CID 44573566
7-Fluoro-4-(4-nitrophenyl)-2-phenyl-1,4-dihydroquinazoline
CID 15062183
2-(4-Fluorophenyl)-6-(4-nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-2-ene
CID 129740232
(4r,5r)-2-(4-Nitrophenyl)-4,5-diphenyl-imidazoline
CID 132493910
(4R,5S)-1-(4-fluorophenyl)-4-nitro-2,5-diphenyl-4,5-dihydroimidazole
CID 71012563
5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1H-pyrazin-3-amine
CID 141299451
4-[C-(2-fluorophenyl)-N-[(3-nitrophenyl)methyl]carbonimidoyl]-2,5-dihydro-1H-pyrrol-3-amine
CID 164849022
2-(3-fluoro-5-nitrophenyl)-4,5-dihydro-1H-imidazole
CID 171475765
6-fluoro-4-methylidene-2-(3-nitrophenyl)-3H-quinazoline
CID 178632290

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-2-(3-nitrophenyl)-1,4-dihydroimidazole?
The IUPAC name of 5,5-bis(4-fluorophenyl)-2-(3-nitrophenyl)-1,4-dihydroimidazole (CID 10293081) is 5,5-bis(4-fluorophenyl)-2-(3-nitrophenyl)-1,4-dihydroimidazole.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-2-(3-nitrophenyl)-1,4-dihydroimidazole?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-2-(3-nitrophenyl)-1,4-dihydroimidazole is O=[N+]([O-])c1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-2-(3-nitrophenyl)-1,4-dihydroimidazole?
The InChIKey is YPUNVQQHZAUQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2/c22-17-8-4-15(5-9-17)21(16-6-10-18(23)11-7-16)13-24-20(25-21)14-2-1-3-19(12-14)26(27)28/h1-12H,13H2,(H,24,25).
What are the key properties of 5,5-bis(4-fluorophenyl)-2-(3-nitrophenyl)-1,4-dihydroimidazole?
5,5-bis(4-fluorophenyl)-2-(3-nitrophenyl)-1,4-dihydroimidazole has a molecular weight of 379.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-2-(3-nitrophenyl)-1,4-dihydroimidazole is sourced from PubChem (CID 10293081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).