1-[4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-3-methylimidazolidin-2-one

C18H19Cl2N3O2 — CID 10110287

IUPAC1-[4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-3-methylimidazolidin-2-one
SMILESCNCc1cc(N2CCN(C)C2=O)ccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-21-11-12-9-13(23-8-7-22(2)18(23)24)3-6-17(12)25-14-4-5-15(19)16(20)10-14/h3-6,9-10,21H,7-8,11H2,1-2H3
InChIKeyCCSCGUWEJSYZNZ-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.38
Rot. Bonds5

About 1-[4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-3-methylimidazolidin-2-one

1-[4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-3-methylimidazolidin-2-one (PubChem CID 10110287) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 1-[4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-3-methylimidazolidin-2-one
PubChem CID10110287
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name1-[4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-3-methylimidazolidin-2-one
SMILESCNCc1cc(N2CCN(C)C2=O)ccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-21-11-12-9-13(23-8-7-22(2)18(23)24)3-6-17(12)25-14-4-5-15(19)16(20)10-14/h3-6,9-10,21H,7-8,11H2,1-2H3
InChIKeyCCSCGUWEJSYZNZ-UHFFFAOYSA-N
XLogP4.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-3-methylimidazolidin-2-one (CID 10110287) is 1-[4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-3-methylimidazolidin-2-one is CNCc1cc(N2CCN(C)C2=O)ccc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-3-methylimidazolidin-2-one?
The InChIKey is CCSCGUWEJSYZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-21-11-12-9-13(23-8-7-22(2)18(23)24)3-6-17(12)25-14-4-5-15(19)16(20)10-14/h3-6,9-10,21H,7-8,11H2,1-2H3.
What are the key properties of 1-[4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-3-methylimidazolidin-2-one?
1-[4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-3-methylimidazolidin-2-one has a molecular weight of 380.28 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 10110287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).