4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile

C25H21N3O4 — CID 2121699

IUPAC4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
SMILESCOc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(Cc3ccc(C#N)cc3)C2=O)cc1
InChIInChI=1S/C25H21N3O4/c1-31-21-11-7-19(8-12-21)25(20-9-13-22(32-2)14-10-20)23(29)28(24(30)27-25)16-18-5-3-17(15-26)4-6-18/h3-14H,16H2,1-2H3,(H,27,30)
InChIKeyIFORVODMNKOWFU-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.57
Rot. Bonds6

About 4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile

4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile (PubChem CID 2121699) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is 4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
PubChem CID2121699
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
SMILESCOc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(Cc3ccc(C#N)cc3)C2=O)cc1
InChIInChI=1S/C25H21N3O4/c1-31-21-11-7-19(8-12-21)25(20-9-13-22(32-2)14-10-20)23(29)28(24(30)27-25)16-18-5-3-17(15-26)4-6-18/h3-14H,16H2,1-2H3,(H,27,30)
InChIKeyIFORVODMNKOWFU-UHFFFAOYSA-N
XLogP3.57
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzonitrile
CID 8672971
4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 5010389
4-[[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2089145
5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 2090016
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
4-[(4-tert-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
CID 82148686
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
3-[(4-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 68626194
5-ethyl-5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 16577306
3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
CID 9403675
5,5-bis(4-methoxyphenyl)-3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
CID 38827168
3-[(4-methylphenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 4810451

Frequently Asked Questions

What is the IUPAC name of 4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile (CID 2121699) is 4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile is COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(Cc3ccc(C#N)cc3)C2=O)cc1.
What is the InChIKey of 4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile?
The InChIKey is IFORVODMNKOWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-31-21-11-7-19(8-12-21)25(20-9-13-22(32-2)14-10-20)23(29)28(24(30)27-25)16-18-5-3-17(15-26)4-6-18/h3-14H,16H2,1-2H3,(H,27,30).
What are the key properties of 4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile?
4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile has a molecular weight of 427.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 2121699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).