1-(3-chlorophenyl)-3-[2-(3-phenylmethoxypiperidin-1-yl)ethyl]imidazolidin-2-one

C23H28ClN3O2 — CID 45273529

IUPAC1-(3-chlorophenyl)-3-[2-(3-phenylmethoxypiperidin-1-yl)ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2CCCC(OCc3ccccc3)C2)CCN1c1cccc(Cl)c1
InChIInChI=1S/C23H28ClN3O2/c24-20-8-4-9-21(16-20)27-15-14-26(23(27)28)13-12-25-11-5-10-22(17-25)29-18-19-6-2-1-3-7-19/h1-4,6-9,16,22H,5,10-15,17-18H2
InChIKeyGESNZTWIXMSIMZ-UHFFFAOYSA-N
MW413.95 g/mol
LogP4.26
Rot. Bonds7

About 1-(3-chlorophenyl)-3-[2-(3-phenylmethoxypiperidin-1-yl)ethyl]imidazolidin-2-one

1-(3-chlorophenyl)-3-[2-(3-phenylmethoxypiperidin-1-yl)ethyl]imidazolidin-2-one (PubChem CID 45273529) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(3-phenylmethoxypiperidin-1-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(3-phenylmethoxypiperidin-1-yl)ethyl]imidazolidin-2-one
PubChem CID45273529
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name1-(3-chlorophenyl)-3-[2-(3-phenylmethoxypiperidin-1-yl)ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2CCCC(OCc3ccccc3)C2)CCN1c1cccc(Cl)c1
InChIInChI=1S/C23H28ClN3O2/c24-20-8-4-9-21(16-20)27-15-14-26(23(27)28)13-12-25-11-5-10-22(17-25)29-18-19-6-2-1-3-7-19/h1-4,6-9,16,22H,5,10-15,17-18H2
InChIKeyGESNZTWIXMSIMZ-UHFFFAOYSA-N
XLogP4.26
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(3-phenylmethoxypiperidin-1-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(3-phenylmethoxypiperidin-1-yl)ethyl]imidazolidin-2-one (CID 45273529) is 1-(3-chlorophenyl)-3-[2-(3-phenylmethoxypiperidin-1-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(3-phenylmethoxypiperidin-1-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(3-phenylmethoxypiperidin-1-yl)ethyl]imidazolidin-2-one is O=C1N(CCN2CCCC(OCc3ccccc3)C2)CCN1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(3-phenylmethoxypiperidin-1-yl)ethyl]imidazolidin-2-one?
The InChIKey is GESNZTWIXMSIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c24-20-8-4-9-21(16-20)27-15-14-26(23(27)28)13-12-25-11-5-10-22(17-25)29-18-19-6-2-1-3-7-19/h1-4,6-9,16,22H,5,10-15,17-18H2.
What are the key properties of 1-(3-chlorophenyl)-3-[2-(3-phenylmethoxypiperidin-1-yl)ethyl]imidazolidin-2-one?
1-(3-chlorophenyl)-3-[2-(3-phenylmethoxypiperidin-1-yl)ethyl]imidazolidin-2-one has a molecular weight of 413.95 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(3-phenylmethoxypiperidin-1-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 45273529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).