1-(3,4-dichlorophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]imidazolidin-2-one

C20H23Cl2N3O3 — CID 10287912

IUPAC1-(3,4-dichlorophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]imidazolidin-2-one
SMILESCOc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN(C)C
InChIInChI=1S/C20H23Cl2N3O3/c1-23(2)10-11-28-19-13-15(5-7-18(19)27-3)25-9-8-24(20(25)26)14-4-6-16(21)17(22)12-14/h4-7,12-13H,8-11H2,1-3H3
InChIKeyFZJNUBRRMWUZTE-UHFFFAOYSA-N
MW424.33 g/mol
LogP4.39
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]imidazolidin-2-one

1-(3,4-dichlorophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]imidazolidin-2-one (PubChem CID 10287912) has the molecular formula C20H23Cl2N3O3 and a molecular weight of 424.33 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]imidazolidin-2-one
PubChem CID10287912
Molecular FormulaC20H23Cl2N3O3
Molecular Weight424.33 g/mol
Exact Mass423.11
IUPAC Name1-(3,4-dichlorophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]imidazolidin-2-one
SMILESCOc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN(C)C
InChIInChI=1S/C20H23Cl2N3O3/c1-23(2)10-11-28-19-13-15(5-7-18(19)27-3)25-9-8-24(20(25)26)14-4-6-16(21)17(22)12-14/h4-7,12-13H,8-11H2,1-3H3
InChIKeyFZJNUBRRMWUZTE-UHFFFAOYSA-N
XLogP4.39
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]imidazolidin-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]imidazolidin-2-one (CID 10287912) is 1-(3,4-dichlorophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]imidazolidin-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]imidazolidin-2-one is COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN(C)C.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]imidazolidin-2-one?
The InChIKey is FZJNUBRRMWUZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O3/c1-23(2)10-11-28-19-13-15(5-7-18(19)27-3)25-9-8-24(20(25)26)14-4-6-16(21)17(22)12-14/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]imidazolidin-2-one?
1-(3,4-dichlorophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]imidazolidin-2-one has a molecular weight of 424.33 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]imidazolidin-2-one is sourced from PubChem (CID 10287912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).