3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione

C27H28FN3O5 — CID 31920225

IUPAC3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CN(C)Cc3ccc(OC)c(F)c3)C2=O)cc1
InChIInChI=1S/C27H28FN3O5/c1-30(16-18-5-14-24(36-4)23(28)15-18)17-31-25(32)27(29-26(31)33,19-6-10-21(34-2)11-7-19)20-8-12-22(35-3)13-9-20/h5-15H,16-17H2,1-4H3,(H,29,33)
InChIKeyJCDNKUHBBJNFQO-UHFFFAOYSA-N
MW493.54 g/mol
LogP3.74
Rot. Bonds9

About 3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione

3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione (PubChem CID 31920225) has the molecular formula C27H28FN3O5 and a molecular weight of 493.54 g/mol. Its IUPAC name is 3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
PubChem CID31920225
Molecular FormulaC27H28FN3O5
Molecular Weight493.54 g/mol
Exact Mass493.20
IUPAC Name3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CN(C)Cc3ccc(OC)c(F)c3)C2=O)cc1
InChIInChI=1S/C27H28FN3O5/c1-30(16-18-5-14-24(36-4)23(28)15-18)17-31-25(32)27(29-26(31)33,19-6-10-21(34-2)11-7-19)20-8-12-22(35-3)13-9-20/h5-15H,16-17H2,1-4H3,(H,29,33)
InChIKeyJCDNKUHBBJNFQO-UHFFFAOYSA-N
XLogP3.74
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 31920090
(5R)-5-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7595608
(5S)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 9170689
(5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
CID 9193036
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867
4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2121699
3-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 27082474
(5R)-5-butyl-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7621303
3-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 37166029
N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide
CID 18196329
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 55373897
3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
CID 9403675

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione (CID 31920225) is 3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione is COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CN(C)Cc3ccc(OC)c(F)c3)C2=O)cc1.
What is the InChIKey of 3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is JCDNKUHBBJNFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O5/c1-30(16-18-5-14-24(36-4)23(28)15-18)17-31-25(32)27(29-26(31)33,19-6-10-21(34-2)11-7-19)20-8-12-22(35-3)13-9-20/h5-15H,16-17H2,1-4H3,(H,29,33).
What are the key properties of 3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione?
3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 493.54 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 31920225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).