4-[[[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]methyl]-N-methylbenzamide

C21H22F2N4O3 — CID 9323874

IUPAC4-[[[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1
InChIInChI=1S/C21H22F2N4O3/c1-21(16-10-15(22)8-9-17(16)23)19(29)27(20(30)25-21)12-26(3)11-13-4-6-14(7-5-13)18(28)24-2/h4-10H,11-12H2,1-3H3,(H,24,28)(H,25,30)/t21-/m0/s1
InChIKeyAGTCBRCKAPNQLP-NRFANRHFSA-N
MW416.43 g/mol
LogP2.18
Rot. Bonds6

About 4-[[[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]methyl]-N-methylbenzamide

4-[[[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]methyl]-N-methylbenzamide (PubChem CID 9323874) has the molecular formula C21H22F2N4O3 and a molecular weight of 416.43 g/mol. Its IUPAC name is 4-[[[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]methyl]-N-methylbenzamide
PubChem CID9323874
Molecular FormulaC21H22F2N4O3
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC Name4-[[[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1
InChIInChI=1S/C21H22F2N4O3/c1-21(16-10-15(22)8-9-17(16)23)19(29)27(20(30)25-21)12-26(3)11-13-4-6-14(7-5-13)18(28)24-2/h4-10H,11-12H2,1-3H3,(H,24,28)(H,25,30)/t21-/m0/s1
InChIKeyAGTCBRCKAPNQLP-NRFANRHFSA-N
XLogP2.18
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide
CID 9323282
(5S)-5-(2,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7801183
methyl 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 78643753
5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione
CID 111469955
4-[[2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 30123684
N-[(4-chlorophenyl)methyl]-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801238
(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 41142691
5-(2,5-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529238
N-(4-acetylphenyl)-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801295
N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801296
5-(2,5-difluorophenyl)-3-[2-(4-hexylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 46552369
(5S)-5-(2,5-difluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7561985

Frequently Asked Questions

What is the IUPAC name of 4-[[[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]methyl]-N-methylbenzamide (CID 9323874) is 4-[[[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1.
What is the InChIKey of 4-[[[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]methyl]-N-methylbenzamide?
The InChIKey is AGTCBRCKAPNQLP-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22F2N4O3/c1-21(16-10-15(22)8-9-17(16)23)19(29)27(20(30)25-21)12-26(3)11-13-4-6-14(7-5-13)18(28)24-2/h4-10H,11-12H2,1-3H3,(H,24,28)(H,25,30)/t21-/m0/s1.
What are the key properties of 4-[[[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]methyl]-N-methylbenzamide?
4-[[[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]methyl]-N-methylbenzamide has a molecular weight of 416.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 9323874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).