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

C25H25FN3O2+ — CID 9285732

IUPACcyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
SMILESC[C@@]1(c2cccc3ccccc23)NC(=O)N(C[NH+](Cc2ccc(F)cc2)C2CC2)C1=O
InChIInChI=1S/C25H24FN3O2/c1-25(22-8-4-6-18-5-2-3-7-21(18)22)23(30)29(24(31)27-25)16-28(20-13-14-20)15-17-9-11-19(26)12-10-17/h2-12,20H,13-16H2,1H3,(H,27,31)/p+1/t25-/m0/s1
InChIKeyRIZCKFZLJSRQKO-VWLOTQADSA-O
MW418.49 g/mol
LogP2.95
Rot. Bonds6

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

cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]azanium (PubChem CID 9285732) has the molecular formula C25H25FN3O2+ and a molecular weight of 418.49 g/mol. Its IUPAC name is cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
PubChem CID9285732
Molecular FormulaC25H25FN3O2+
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Namecyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
SMILESC[C@@]1(c2cccc3ccccc23)NC(=O)N(C[NH+](Cc2ccc(F)cc2)C2CC2)C1=O
InChIInChI=1S/C25H24FN3O2/c1-25(22-8-4-6-18-5-2-3-7-21(18)22)23(30)29(24(31)27-25)16-28(20-13-14-20)15-17-9-11-19(26)12-10-17/h2-12,20H,13-16H2,1H3,(H,27,31)/p+1/t25-/m0/s1
InChIKeyRIZCKFZLJSRQKO-VWLOTQADSA-O
XLogP2.95
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', '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]-[[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9285740
cyclopropyl-[(4-fluorophenyl)methyl]-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium
CID 9285702
3-ethyl-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42915150
cyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium
CID 9285758
cyclopropyl-[(4-methoxyphenyl)methyl]-[[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9281572
3-[(2,2-dichlorocyclopropyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 43022994
(5R)-5-methyl-5-naphthalen-1-yl-3-(pyrrolidin-1-ylmethyl)imidazolidine-2,4-dione
CID 9403666
(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 8675905
(5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 40812144
5-methyl-3-(2-methylprop-2-enyl)-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 17405528
(5R)-3-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 100885751

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
The IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]azanium (CID 9285732) is cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]azanium.
What is the SMILES notation for cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
The canonical SMILES for cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]azanium is C[C@@]1(c2cccc3ccccc23)NC(=O)N(C[NH+](Cc2ccc(F)cc2)C2CC2)C1=O.
What is the InChIKey of cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
The InChIKey is RIZCKFZLJSRQKO-VWLOTQADSA-O. The full InChI is InChI=1S/C25H24FN3O2/c1-25(22-8-4-6-18-5-2-3-7-21(18)22)23(30)29(24(31)27-25)16-28(20-13-14-20)15-17-9-11-19(26)12-10-17/h2-12,20H,13-16H2,1H3,(H,27,31)/p+1/t25-/m0/s1.
What are the key properties of cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]azanium has a molecular weight of 418.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]azanium is sourced from PubChem (CID 9285732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).