1-benzyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione

C26H27N3O3 — CID 55681185

IUPAC1-benzyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione
SMILESCOc1cccc(CN(C)CN2C(=O)C(c3ccccc3)N(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C26H27N3O3/c1-27(17-21-12-9-15-23(16-21)32-2)19-29-25(30)24(22-13-7-4-8-14-22)28(26(29)31)18-20-10-5-3-6-11-20/h3-16,24H,17-19H2,1-2H3
InChIKeyZNFXGPIAZWINFY-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.29
Rot. Bonds8

About 1-benzyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione

1-benzyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 55681185) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-benzyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID55681185
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name1-benzyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione
SMILESCOc1cccc(CN(C)CN2C(=O)C(c3ccccc3)N(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C26H27N3O3/c1-27(17-21-12-9-15-23(16-21)32-2)19-29-25(30)24(22-13-7-4-8-14-22)28(26(29)31)18-20-10-5-3-6-11-20/h3-16,24H,17-19H2,1-2H3
InChIKeyZNFXGPIAZWINFY-UHFFFAOYSA-N
XLogP4.29
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one
CID 102537099
(2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one
CID 94072924
3-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-5-phenylimidazolidine-2,4-dione
CID 154863473
3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417614
1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 55622254
(2S)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94072929
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
3-(4-chlorophenyl)-1-[[(3-methoxyphenyl)methyl-methylamino]methyl]-4-methylimidazol-2-one
CID 56520583
1-benzyl-4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 3378055
(4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one
CID 101347940
1-benzyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 56684743
1-benzyl-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 3396852

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 1-benzyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione (CID 55681185) is 1-benzyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione is COc1cccc(CN(C)CN2C(=O)C(c3ccccc3)N(Cc3ccccc3)C2=O)c1.
What is the InChIKey of 1-benzyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is ZNFXGPIAZWINFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-27(17-21-12-9-15-23(16-21)32-2)19-29-25(30)24(22-13-7-4-8-14-22)28(26(29)31)18-20-10-5-3-6-11-20/h3-16,24H,17-19H2,1-2H3.
What are the key properties of 1-benzyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione?
1-benzyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 429.52 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 55681185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).