9-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione

C19H20FN5O5 — CID 154864364

IUPAC9-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCC3(C2)NC(=O)NC3=O)C1=O
InChIInChI=1S/C19H20FN5O5/c1-18(11-3-5-12(20)6-4-11)15(28)25(17(30)23-18)9-13(26)24-8-2-7-19(10-24)14(27)21-16(29)22-19/h3-6H,2,7-10H2,1H3,(H,23,30)(H2,21,22,27,29)
InChIKeyAIZCSYJPFMSRTP-UHFFFAOYSA-N
MW417.40 g/mol
LogP-0.21
Rot. Bonds3

About 9-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione

9-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione (PubChem CID 154864364) has the molecular formula C19H20FN5O5 and a molecular weight of 417.40 g/mol. Its IUPAC name is 9-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name9-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
PubChem CID154864364
Molecular FormulaC19H20FN5O5
Molecular Weight417.40 g/mol
Exact Mass417.14
IUPAC Name9-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCC3(C2)NC(=O)NC3=O)C1=O
InChIInChI=1S/C19H20FN5O5/c1-18(11-3-5-12(20)6-4-11)15(28)25(17(30)23-18)9-13(26)24-8-2-7-19(10-24)14(27)21-16(29)22-19/h3-6H,2,7-10H2,1H3,(H,23,30)(H2,21,22,27,29)
InChIKeyAIZCSYJPFMSRTP-UHFFFAOYSA-N
XLogP-0.21
TPSA127.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
5-(4-fluorophenyl)-5-methyl-3-[2-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 139004489
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119381700
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride
CID 119381699
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119376803
5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 55510543
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
5-(4-fluorophenyl)-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119398834
3-[2-(azocan-1-yl)-2-oxoethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 51215204
3-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 43044254
tert-butyl 4-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazine-1-carboxylate
CID 46419163
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 43071602

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 9-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione (CID 154864364) is 9-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 9-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 9-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCC3(C2)NC(=O)NC3=O)C1=O.
What is the InChIKey of 9-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is AIZCSYJPFMSRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O5/c1-18(11-3-5-12(20)6-4-11)15(28)25(17(30)23-18)9-13(26)24-8-2-7-19(10-24)14(27)21-16(29)22-19/h3-6H,2,7-10H2,1H3,(H,23,30)(H2,21,22,27,29).
What are the key properties of 9-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
9-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 417.40 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 154864364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).