1-[2-[2-[4-(4-chlorophenyl)phenoxy]ethyl-methylamino]ethyl]-3-pyridin-4-ylimidazolidin-2-one

C25H27ClN4O2 — CID 5278465

IUPAC1-[2-[2-[4-(4-chlorophenyl)phenoxy]ethyl-methylamino]ethyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCN(CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O
InChIInChI=1S/C25H27ClN4O2/c1-28(14-15-29-16-17-30(25(29)31)23-10-12-27-13-11-23)18-19-32-24-8-4-21(5-9-24)20-2-6-22(26)7-3-20/h2-13H,14-19H2,1H3
InChIKeyNUXYCVQITJEHTB-UHFFFAOYSA-N
MW450.97 g/mol
LogP4.65
Rot. Bonds9

About 1-[2-[2-[4-(4-chlorophenyl)phenoxy]ethyl-methylamino]ethyl]-3-pyridin-4-ylimidazolidin-2-one

1-[2-[2-[4-(4-chlorophenyl)phenoxy]ethyl-methylamino]ethyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 5278465) has the molecular formula C25H27ClN4O2 and a molecular weight of 450.97 g/mol. Its IUPAC name is 1-[2-[2-[4-(4-chlorophenyl)phenoxy]ethyl-methylamino]ethyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[4-(4-chlorophenyl)phenoxy]ethyl-methylamino]ethyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID5278465
Molecular FormulaC25H27ClN4O2
Molecular Weight450.97 g/mol
Exact Mass450.18
IUPAC Name1-[2-[2-[4-(4-chlorophenyl)phenoxy]ethyl-methylamino]ethyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCN(CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O
InChIInChI=1S/C25H27ClN4O2/c1-28(14-15-29-16-17-30(25(29)31)23-10-12-27-13-11-23)18-19-32-24-8-4-21(5-9-24)20-2-6-22(26)7-3-20/h2-13H,14-19H2,1H3
InChIKeyNUXYCVQITJEHTB-UHFFFAOYSA-N
XLogP4.65
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[4-(4-chlorophenyl)phenoxy]ethyl-methylamino]ethyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[2-[2-[4-(4-chlorophenyl)phenoxy]ethyl-methylamino]ethyl]-3-pyridin-4-ylimidazolidin-2-one (CID 5278465) is 1-[2-[2-[4-(4-chlorophenyl)phenoxy]ethyl-methylamino]ethyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-[4-(4-chlorophenyl)phenoxy]ethyl-methylamino]ethyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-[2-[4-(4-chlorophenyl)phenoxy]ethyl-methylamino]ethyl]-3-pyridin-4-ylimidazolidin-2-one is CN(CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O.
What is the InChIKey of 1-[2-[2-[4-(4-chlorophenyl)phenoxy]ethyl-methylamino]ethyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is NUXYCVQITJEHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O2/c1-28(14-15-29-16-17-30(25(29)31)23-10-12-27-13-11-23)18-19-32-24-8-4-21(5-9-24)20-2-6-22(26)7-3-20/h2-13H,14-19H2,1H3.
What are the key properties of 1-[2-[2-[4-(4-chlorophenyl)phenoxy]ethyl-methylamino]ethyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[2-[2-[4-(4-chlorophenyl)phenoxy]ethyl-methylamino]ethyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 450.97 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[4-(4-chlorophenyl)phenoxy]ethyl-methylamino]ethyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 5278465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).