3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile

C19H16ClN3O3 — CID 60617429

IUPAC3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
SMILESCC1(c2cccc(C#N)c2)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H16ClN3O3/c1-19(14-4-2-3-13(11-14)12-21)17(24)23(18(25)22-19)9-10-26-16-7-5-15(20)6-8-16/h2-8,11H,9-10H2,1H3,(H,22,25)
InChIKeyFVMUASMGJWXZIB-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.06
Rot. Bonds5

About 3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile

3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile (PubChem CID 60617429) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile.

Molecular Properties

Compound Name3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
PubChem CID60617429
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
SMILESCC1(c2cccc(C#N)c2)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H16ClN3O3/c1-19(14-4-2-3-13(11-14)12-21)17(24)23(18(25)22-19)9-10-26-16-7-5-15(20)6-8-16/h2-8,11H,9-10H2,1H3,(H,22,25)
InChIKeyFVMUASMGJWXZIB-UHFFFAOYSA-N
XLogP3.06
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4S)-1-[2-(2-fluorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 52514833
4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
CID 46641129
3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 42918836
5-(4-chlorophenyl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4671924
(5R)-3-[2-(4-bromophenoxy)ethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2093930
3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile
CID 47092850
4-[2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]ethoxy]benzonitrile
CID 46816762
(5R)-3-[2-(4-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2087631
3-[2-(4-chlorophenoxy)ethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51249961
(5R)-3-[2-(4-chlorophenoxy)ethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7562071
4-[2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]ethoxy]benzonitrile
CID 46815424
3-[(4S)-1-(2-bromoprop-2-enyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 95339475

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The IUPAC name of 3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile (CID 60617429) is 3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile.
What is the SMILES notation for 3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The canonical SMILES for 3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile is CC1(c2cccc(C#N)c2)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The InChIKey is FVMUASMGJWXZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-19(14-4-2-3-13(11-14)12-21)17(24)23(18(25)22-19)9-10-26-16-7-5-15(20)6-8-16/h2-8,11H,9-10H2,1H3,(H,22,25).
What are the key properties of 3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile has a molecular weight of 369.81 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile is sourced from PubChem (CID 60617429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).