5-(3,4-dichlorophenyl)-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C19H23Cl2N3O3 — CID 46638454

IUPAC5-(3,4-dichlorophenyl)-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCCC1CCCCN1C(=O)CN1C(=O)NC(C)(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C19H23Cl2N3O3/c1-3-13-6-4-5-9-23(13)16(25)11-24-17(26)19(2,22-18(24)27)12-7-8-14(20)15(21)10-12/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,22,27)
InChIKeyAPEYCUACXYIORH-UHFFFAOYSA-N
MW412.32 g/mol
LogP3.55
Rot. Bonds4

About 5-(3,4-dichlorophenyl)-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-(3,4-dichlorophenyl)-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 46638454) has the molecular formula C19H23Cl2N3O3 and a molecular weight of 412.32 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID46638454
Molecular FormulaC19H23Cl2N3O3
Molecular Weight412.32 g/mol
Exact Mass411.11
IUPAC Name5-(3,4-dichlorophenyl)-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCCC1CCCCN1C(=O)CN1C(=O)NC(C)(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C19H23Cl2N3O3/c1-3-13-6-4-5-9-23(13)16(25)11-24-17(26)19(2,22-18(24)27)12-7-8-14(20)15(21)10-12/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,22,27)
InChIKeyAPEYCUACXYIORH-UHFFFAOYSA-N
XLogP3.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3,4-dichlorophenyl)-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7802480
3-[(4R)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 52512635
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7264920
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7710954
(5R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7242858
(5R)-5-(4-chlorophenyl)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2577171
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708962
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708959
(5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181317
(5R)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 27029661
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 42898015
(5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7595466

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(3,4-dichlorophenyl)-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 46638454) is 5-(3,4-dichlorophenyl)-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(3,4-dichlorophenyl)-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CCC1CCCCN1C(=O)CN1C(=O)NC(C)(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 5-(3,4-dichlorophenyl)-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is APEYCUACXYIORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O3/c1-3-13-6-4-5-9-23(13)16(25)11-24-17(26)19(2,22-18(24)27)12-7-8-14(20)15(21)10-12/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,22,27).
What are the key properties of 5-(3,4-dichlorophenyl)-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-(3,4-dichlorophenyl)-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 412.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 46638454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).