5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole

C28H30F2N6 — CID 75991860

IUPAC5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole
SMILESCC1CCC(c2nc(-c3ccc(-c4ccc(-c5nc(C6CCC(C)N6)[nH]c5F)cc4)cc3)c(F)[nH]2)N1
InChIInChI=1S/C28H30F2N6/c1-15-3-13-21(31-15)27-33-23(25(29)35-27)19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-26(30)36-28(34-24)22-14-4-16(2)32-22/h5-12,15-16,21-22,31-32H,3-4,13-14H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyOXOKNQBAKWLCHV-UHFFFAOYSA-N
MW488.59 g/mol
LogP6.04
Rot. Bonds5

About 5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole

5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole (PubChem CID 75991860) has the molecular formula C28H30F2N6 and a molecular weight of 488.59 g/mol. Its IUPAC name is 5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole
PubChem CID75991860
Molecular FormulaC28H30F2N6
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Name5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole
SMILESCC1CCC(c2nc(-c3ccc(-c4ccc(-c5nc(C6CCC(C)N6)[nH]c5F)cc4)cc3)c(F)[nH]2)N1
InChIInChI=1S/C28H30F2N6/c1-15-3-13-21(31-15)27-33-23(25(29)35-27)19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-26(30)36-28(34-24)22-14-4-16(2)32-22/h5-12,15-16,21-22,31-32H,3-4,13-14H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyOXOKNQBAKWLCHV-UHFFFAOYSA-N
XLogP6.04
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 56.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole with MolForge

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Related Compounds

(3S)-3-[4-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-fluoro-1H-imidazol-4-yl]phenyl]phenyl]-5-fluoro-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
CID 129022355
5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
CID 70673370
7-[4-[5-methyl-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-3H-benzo[e]benzimidazole
CID 163851585
7-[4-[5-(iodomethyl)-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]-2-[(2S)-5-methylpyrrolidin-2-yl]-3H-benzo[e]benzimidazole
CID 89410638
(2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine
CID 124509740
tert-butyl 2-[5-fluoro-4-[4-[4-[5-fluoro-2-[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate
CID 75991858
2-[(5S)-4,5-dimethylpyrrolidin-2-yl]-5-[4-[4-[2-(5-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
CID 90151746
2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole
CID 141299520
tert-butyl (2S,5S)-2-[5-[4-[4-[5-fluoro-2-[(2S,5S)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate
CID 58519356
5-[4-[4-[4-[2-(2-azabicyclo[3.2.0]heptan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine
CID 123475485
2-[3-(4-fluoro-2-methylphenyl)phenyl]-5-methylpyrrolidine
CID 123990449
2-[2-[(2S,5R)-5-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline
CID 147367127

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole?
The IUPAC name of 5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole (CID 75991860) is 5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole.
What is the SMILES notation for 5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole?
The canonical SMILES for 5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole is CC1CCC(c2nc(-c3ccc(-c4ccc(-c5nc(C6CCC(C)N6)[nH]c5F)cc4)cc3)c(F)[nH]2)N1.
What is the InChIKey of 5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole?
The InChIKey is OXOKNQBAKWLCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N6/c1-15-3-13-21(31-15)27-33-23(25(29)35-27)19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-26(30)36-28(34-24)22-14-4-16(2)32-22/h5-12,15-16,21-22,31-32H,3-4,13-14H2,1-2H3,(H,33,35)(H,34,36).
What are the key properties of 5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole?
5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole has a molecular weight of 488.59 g/mol, XLogP of 6.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole is sourced from PubChem (CID 75991860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).