cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium

C22H25FN3O3+ — CID 9285682

IUPACcyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
SMILESCOc1cccc([C@]2(C)NC(=O)N(C[NH+](Cc3ccc(F)cc3)C3CC3)C2=O)c1
InChIInChI=1S/C22H24FN3O3/c1-22(16-4-3-5-19(12-16)29-2)20(27)26(21(28)24-22)14-25(18-10-11-18)13-15-6-8-17(23)9-7-15/h3-9,12,18H,10-11,13-14H2,1-2H3,(H,24,28)/p+1/t22-/m0/s1
InChIKeyRUMGEJCBMGUBHS-QFIPXVFZSA-O
MW398.46 g/mol
LogP1.81
Rot. Bonds7

About cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium

cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium (PubChem CID 9285682) has the molecular formula C22H25FN3O3+ and a molecular weight of 398.46 g/mol. Its IUPAC name is cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
PubChem CID9285682
Molecular FormulaC22H25FN3O3+
Molecular Weight398.46 g/mol
Exact Mass398.19
IUPAC Namecyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
SMILESCOc1cccc([C@]2(C)NC(=O)N(C[NH+](Cc3ccc(F)cc3)C3CC3)C2=O)c1
InChIInChI=1S/C22H24FN3O3/c1-22(16-4-3-5-19(12-16)29-2)20(27)26(21(28)24-22)14-25(18-10-11-18)13-15-6-8-17(23)9-7-15/h3-9,12,18H,10-11,13-14H2,1-2H3,(H,24,28)/p+1/t22-/m0/s1
InChIKeyRUMGEJCBMGUBHS-QFIPXVFZSA-O
XLogP1.81
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-[(4-methoxyphenyl)methyl]-[[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9281572
cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9285732
cyclopropyl-[(4-fluorophenyl)methyl]-[[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9285740
[(3R)-1,1-dioxothiolan-3-yl]-(2-methoxyethyl)-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9281305
(5R)-3-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 41096881
(5R)-3-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 11925198
(5S)-3-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 11925196
cyclopropyl-[(4-fluorophenyl)methyl]-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium
CID 9285702
cyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium
CID 9285758
N-cyclopropyl-2-[[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]acetamide
CID 9286027
(5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 94081397
[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9317543

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
The IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium (CID 9285682) is cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium.
What is the SMILES notation for cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
The canonical SMILES for cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium is COc1cccc([C@]2(C)NC(=O)N(C[NH+](Cc3ccc(F)cc3)C3CC3)C2=O)c1.
What is the InChIKey of cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
The InChIKey is RUMGEJCBMGUBHS-QFIPXVFZSA-O. The full InChI is InChI=1S/C22H24FN3O3/c1-22(16-4-3-5-19(12-16)29-2)20(27)26(21(28)24-22)14-25(18-10-11-18)13-15-6-8-17(23)9-7-15/h3-9,12,18H,10-11,13-14H2,1-2H3,(H,24,28)/p+1/t22-/m0/s1.
What are the key properties of cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium has a molecular weight of 398.46 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium is sourced from PubChem (CID 9285682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).