1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one

C23H27Cl2N3O3 — CID 10217207

IUPAC1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one
SMILESCOc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C23H27Cl2N3O3/c1-30-21-8-6-18(16-22(21)31-14-13-26-9-3-2-4-10-26)28-12-11-27(23(28)29)17-5-7-19(24)20(25)15-17/h5-8,15-16H,2-4,9-14H2,1H3
InChIKeyNHGIYDWPNQLBJG-UHFFFAOYSA-N
MW464.39 g/mol
LogP5.31
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one

1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one (PubChem CID 10217207) has the molecular formula C23H27Cl2N3O3 and a molecular weight of 464.39 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one
PubChem CID10217207
Molecular FormulaC23H27Cl2N3O3
Molecular Weight464.39 g/mol
Exact Mass463.14
IUPAC Name1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one
SMILESCOc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C23H27Cl2N3O3/c1-30-21-8-6-18(16-22(21)31-14-13-26-9-3-2-4-10-26)28-12-11-27(23(28)29)17-5-7-19(24)20(25)15-17/h5-8,15-16H,2-4,9-14H2,1H3
InChIKeyNHGIYDWPNQLBJG-UHFFFAOYSA-N
XLogP5.31
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.39
LogP ≤ 55.31
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-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one (CID 10217207) is 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one is COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one?
The InChIKey is NHGIYDWPNQLBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O3/c1-30-21-8-6-18(16-22(21)31-14-13-26-9-3-2-4-10-26)28-12-11-27(23(28)29)17-5-7-19(24)20(25)15-17/h5-8,15-16H,2-4,9-14H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one?
1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one has a molecular weight of 464.39 g/mol, XLogP of 5.31, 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-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one is sourced from PubChem (CID 10217207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).