(4R,5S)-1-(4-fluorophenyl)-4-nitro-2,5-diphenyl-4,5-dihydroimidazole

C21H16FN3O2 — CID 71012563

IUPAC(4R,5S)-1-(4-fluorophenyl)-4-nitro-2,5-diphenyl-4,5-dihydroimidazole
SMILESO=[N+]([O-])[C@H]1N=C(c2ccccc2)N(c2ccc(F)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C21H16FN3O2/c22-17-11-13-18(14-12-17)24-19(15-7-3-1-4-8-15)21(25(26)27)23-20(24)16-9-5-2-6-10-16/h1-14,19,21H/t19-,21+/m0/s1
InChIKeyPJZBFFMHOYGZMW-PZJWPPBQSA-N
MW361.38 g/mol
LogP4.44
Rot. Bonds4

About (4R,5S)-1-(4-fluorophenyl)-4-nitro-2,5-diphenyl-4,5-dihydroimidazole

(4R,5S)-1-(4-fluorophenyl)-4-nitro-2,5-diphenyl-4,5-dihydroimidazole (PubChem CID 71012563) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is (4R,5S)-1-(4-fluorophenyl)-4-nitro-2,5-diphenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name(4R,5S)-1-(4-fluorophenyl)-4-nitro-2,5-diphenyl-4,5-dihydroimidazole
PubChem CID71012563
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name(4R,5S)-1-(4-fluorophenyl)-4-nitro-2,5-diphenyl-4,5-dihydroimidazole
SMILESO=[N+]([O-])[C@H]1N=C(c2ccccc2)N(c2ccc(F)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C21H16FN3O2/c22-17-11-13-18(14-12-17)24-19(15-7-3-1-4-8-15)21(25(26)27)23-20(24)16-9-5-2-6-10-16/h1-14,19,21H/t19-,21+/m0/s1
InChIKeyPJZBFFMHOYGZMW-PZJWPPBQSA-N
XLogP4.44
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1-(4-fluorophenyl)-4-nitro-2,5-diphenyl-4,5-dihydroimidazole?
The IUPAC name of (4R,5S)-1-(4-fluorophenyl)-4-nitro-2,5-diphenyl-4,5-dihydroimidazole (CID 71012563) is (4R,5S)-1-(4-fluorophenyl)-4-nitro-2,5-diphenyl-4,5-dihydroimidazole.
What is the SMILES notation for (4R,5S)-1-(4-fluorophenyl)-4-nitro-2,5-diphenyl-4,5-dihydroimidazole?
The canonical SMILES for (4R,5S)-1-(4-fluorophenyl)-4-nitro-2,5-diphenyl-4,5-dihydroimidazole is O=[N+]([O-])[C@H]1N=C(c2ccccc2)N(c2ccc(F)cc2)[C@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-1-(4-fluorophenyl)-4-nitro-2,5-diphenyl-4,5-dihydroimidazole?
The InChIKey is PJZBFFMHOYGZMW-PZJWPPBQSA-N. The full InChI is InChI=1S/C21H16FN3O2/c22-17-11-13-18(14-12-17)24-19(15-7-3-1-4-8-15)21(25(26)27)23-20(24)16-9-5-2-6-10-16/h1-14,19,21H/t19-,21+/m0/s1.
What are the key properties of (4R,5S)-1-(4-fluorophenyl)-4-nitro-2,5-diphenyl-4,5-dihydroimidazole?
(4R,5S)-1-(4-fluorophenyl)-4-nitro-2,5-diphenyl-4,5-dihydroimidazole has a molecular weight of 361.38 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1-(4-fluorophenyl)-4-nitro-2,5-diphenyl-4,5-dihydroimidazole is sourced from PubChem (CID 71012563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).