1-(3-chlorophenyl)-3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]imidazolidin-2-one

C22H28ClN3O3 — CID 45271753

IUPAC1-(3-chlorophenyl)-3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]imidazolidin-2-one
SMILESCOc1ccc(CCN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)cc1OC
InChIInChI=1S/C22H28ClN3O3/c1-24(10-9-17-7-8-20(28-2)21(15-17)29-3)11-12-25-13-14-26(22(25)27)19-6-4-5-18(23)16-19/h4-8,15-16H,9-14H2,1-3H3
InChIKeyIAUZWUKARUVEJL-UHFFFAOYSA-N
MW417.94 g/mol
LogP3.77
Rot. Bonds9

About 1-(3-chlorophenyl)-3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]imidazolidin-2-one

1-(3-chlorophenyl)-3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]imidazolidin-2-one (PubChem CID 45271753) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]imidazolidin-2-one
PubChem CID45271753
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC Name1-(3-chlorophenyl)-3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]imidazolidin-2-one
SMILESCOc1ccc(CCN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)cc1OC
InChIInChI=1S/C22H28ClN3O3/c1-24(10-9-17-7-8-20(28-2)21(15-17)29-3)11-12-25-13-14-26(22(25)27)19-6-4-5-18(23)16-19/h4-8,15-16H,9-14H2,1-3H3
InChIKeyIAUZWUKARUVEJL-UHFFFAOYSA-N
XLogP3.77
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]imidazolidin-2-one (CID 45271753) is 1-(3-chlorophenyl)-3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]imidazolidin-2-one is COc1ccc(CCN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)cc1OC.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]imidazolidin-2-one?
The InChIKey is IAUZWUKARUVEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3/c1-24(10-9-17-7-8-20(28-2)21(15-17)29-3)11-12-25-13-14-26(22(25)27)19-6-4-5-18(23)16-19/h4-8,15-16H,9-14H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]imidazolidin-2-one?
1-(3-chlorophenyl)-3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]imidazolidin-2-one has a molecular weight of 417.94 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 45271753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).