ethyl 2-[[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]furan-3-carboxylate

C19H17N3O5 — CID 18201608

IUPACethyl 2-[[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1C(=O)NC(C)(c2ccc(C#N)cc2)C1=O
InChIInChI=1S/C19H17N3O5/c1-3-26-16(23)14-8-9-27-15(14)11-22-17(24)19(2,21-18(22)25)13-6-4-12(10-20)5-7-13/h4-9H,3,11H2,1-2H3,(H,21,25)
InChIKeyQAZZMBWNJQBFMN-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.30
Rot. Bonds5

About ethyl 2-[[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]furan-3-carboxylate

ethyl 2-[[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]furan-3-carboxylate (PubChem CID 18201608) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is ethyl 2-[[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]furan-3-carboxylate
PubChem CID18201608
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Nameethyl 2-[[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1C(=O)NC(C)(c2ccc(C#N)cc2)C1=O
InChIInChI=1S/C19H17N3O5/c1-3-26-16(23)14-8-9-27-15(14)11-22-17(24)19(2,21-18(22)25)13-6-4-12(10-20)5-7-13/h4-9H,3,11H2,1-2H3,(H,21,25)
InChIKeyQAZZMBWNJQBFMN-UHFFFAOYSA-N
XLogP2.30
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-[[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]furan-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate
CID 40810957
ethyl 2-[2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate
CID 75425550
ethyl 4-[2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 71685570
4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 5010389
4-[(4S)-4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl]benzonitrile
CID 40972073
4-[(4R)-4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 40918365
ethyl 5-[[2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 24565862
4-[(4R)-1-(cyanomethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 41105372
4-[[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2089145
ethyl 1-[2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 18074238
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 4790492
4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 47056816

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]furan-3-carboxylate (CID 18201608) is ethyl 2-[[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]furan-3-carboxylate is CCOC(=O)c1ccoc1CN1C(=O)NC(C)(c2ccc(C#N)cc2)C1=O.
What is the InChIKey of ethyl 2-[[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]furan-3-carboxylate?
The InChIKey is QAZZMBWNJQBFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-3-26-16(23)14-8-9-27-15(14)11-22-17(24)19(2,21-18(22)25)13-6-4-12(10-20)5-7-13/h4-9H,3,11H2,1-2H3,(H,21,25).
What are the key properties of ethyl 2-[[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]furan-3-carboxylate?
ethyl 2-[[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]furan-3-carboxylate has a molecular weight of 367.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]furan-3-carboxylate is sourced from PubChem (CID 18201608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).