cyclopropyl-[(4-fluorophenyl)methyl]-[[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium

C21H22FN4O4+ — CID 9285740

IUPACcyclopropyl-[(4-fluorophenyl)methyl]-[[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium
SMILESC[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[NH+](Cc2ccc(F)cc2)C2CC2)C1=O
InChIInChI=1S/C21H21FN4O4/c1-21(15-4-8-18(9-5-15)26(29)30)19(27)25(20(28)23-21)13-24(17-10-11-17)12-14-2-6-16(22)7-3-14/h2-9,17H,10-13H2,1H3,(H,23,28)/p+1/t21-/m1/s1
InChIKeyHNRUBDSJKNLZSX-OAQYLSRUSA-O
MW413.43 g/mol
LogP1.71
Rot. Bonds7

About cyclopropyl-[(4-fluorophenyl)methyl]-[[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium

cyclopropyl-[(4-fluorophenyl)methyl]-[[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium (PubChem CID 9285740) has the molecular formula C21H22FN4O4+ and a molecular weight of 413.43 g/mol. Its IUPAC name is cyclopropyl-[(4-fluorophenyl)methyl]-[[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(4-fluorophenyl)methyl]-[[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium
PubChem CID9285740
Molecular FormulaC21H22FN4O4+
Molecular Weight413.43 g/mol
Exact Mass413.16
IUPAC Namecyclopropyl-[(4-fluorophenyl)methyl]-[[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium
SMILESC[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[NH+](Cc2ccc(F)cc2)C2CC2)C1=O
InChIInChI=1S/C21H21FN4O4/c1-21(15-4-8-18(9-5-15)26(29)30)19(27)25(20(28)23-21)13-24(17-10-11-17)12-14-2-6-16(22)7-3-14/h2-9,17H,10-13H2,1H3,(H,23,28)/p+1/t21-/m1/s1
InChIKeyHNRUBDSJKNLZSX-OAQYLSRUSA-O
XLogP1.71
TPSA96.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9285682
cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9285732
cyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium
CID 9285758
(5S)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7242913
cyclopropyl-[(4-methoxyphenyl)methyl]-[[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9281572
(5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 7812605
3-[(3,4-dichlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 42964351
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]acetamide
CID 43042896
5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 10664801
5-(2,5-difluorophenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 46824039
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180260
(5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 41080939

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
The IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium (CID 9285740) is cyclopropyl-[(4-fluorophenyl)methyl]-[[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium.
What is the SMILES notation for cyclopropyl-[(4-fluorophenyl)methyl]-[[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
The canonical SMILES for cyclopropyl-[(4-fluorophenyl)methyl]-[[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium is C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[NH+](Cc2ccc(F)cc2)C2CC2)C1=O.
What is the InChIKey of cyclopropyl-[(4-fluorophenyl)methyl]-[[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
The InChIKey is HNRUBDSJKNLZSX-OAQYLSRUSA-O. The full InChI is InChI=1S/C21H21FN4O4/c1-21(15-4-8-18(9-5-15)26(29)30)19(27)25(20(28)23-21)13-24(17-10-11-17)12-14-2-6-16(22)7-3-14/h2-9,17H,10-13H2,1H3,(H,23,28)/p+1/t21-/m1/s1.
What are the key properties of cyclopropyl-[(4-fluorophenyl)methyl]-[[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
cyclopropyl-[(4-fluorophenyl)methyl]-[[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium has a molecular weight of 413.43 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(4-fluorophenyl)methyl]-[[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium is sourced from PubChem (CID 9285740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).