(4S)-3-(4-chlorophenyl)-1-[2-(1,3-dioxan-2-yl)ethyl]-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one

C25H25ClN4O4 — CID 59485640

IUPAC(4S)-3-(4-chlorophenyl)-1-[2-(1,3-dioxan-2-yl)ethyl]-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
SMILESO=C1N(CCC2OCCCO2)C[C@H](c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C25H25ClN4O4/c26-19-5-7-20(8-6-19)30-22(17-29(25(30)31)12-9-24-32-13-2-14-33-24)18-3-1-4-21(15-18)34-23-16-27-10-11-28-23/h1,3-8,10-11,15-16,22,24H,2,9,12-14,17H2/t22-/m1/s1
InChIKeyORQPWJHYOHGGDI-JOCHJYFZSA-N
MW480.95 g/mol
LogP5.06
Rot. Bonds7

About (4S)-3-(4-chlorophenyl)-1-[2-(1,3-dioxan-2-yl)ethyl]-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one

(4S)-3-(4-chlorophenyl)-1-[2-(1,3-dioxan-2-yl)ethyl]-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one (PubChem CID 59485640) has the molecular formula C25H25ClN4O4 and a molecular weight of 480.95 g/mol. Its IUPAC name is (4S)-3-(4-chlorophenyl)-1-[2-(1,3-dioxan-2-yl)ethyl]-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(4-chlorophenyl)-1-[2-(1,3-dioxan-2-yl)ethyl]-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
PubChem CID59485640
Molecular FormulaC25H25ClN4O4
Molecular Weight480.95 g/mol
Exact Mass480.16
IUPAC Name(4S)-3-(4-chlorophenyl)-1-[2-(1,3-dioxan-2-yl)ethyl]-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
SMILESO=C1N(CCC2OCCCO2)C[C@H](c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C25H25ClN4O4/c26-19-5-7-20(8-6-19)30-22(17-29(25(30)31)12-9-24-32-13-2-14-33-24)18-3-1-4-21(15-18)34-23-16-27-10-11-28-23/h1,3-8,10-11,15-16,22,24H,2,9,12-14,17H2/t22-/m1/s1
InChIKeyORQPWJHYOHGGDI-JOCHJYFZSA-N
XLogP5.06
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.95
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-chlorophenyl)-1-[2-(1,3-dioxan-2-yl)ethyl]-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
The IUPAC name of (4S)-3-(4-chlorophenyl)-1-[2-(1,3-dioxan-2-yl)ethyl]-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one (CID 59485640) is (4S)-3-(4-chlorophenyl)-1-[2-(1,3-dioxan-2-yl)ethyl]-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-3-(4-chlorophenyl)-1-[2-(1,3-dioxan-2-yl)ethyl]-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
The canonical SMILES for (4S)-3-(4-chlorophenyl)-1-[2-(1,3-dioxan-2-yl)ethyl]-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one is O=C1N(CCC2OCCCO2)C[C@H](c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1.
What is the InChIKey of (4S)-3-(4-chlorophenyl)-1-[2-(1,3-dioxan-2-yl)ethyl]-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
The InChIKey is ORQPWJHYOHGGDI-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H25ClN4O4/c26-19-5-7-20(8-6-19)30-22(17-29(25(30)31)12-9-24-32-13-2-14-33-24)18-3-1-4-21(15-18)34-23-16-27-10-11-28-23/h1,3-8,10-11,15-16,22,24H,2,9,12-14,17H2/t22-/m1/s1.
What are the key properties of (4S)-3-(4-chlorophenyl)-1-[2-(1,3-dioxan-2-yl)ethyl]-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
(4S)-3-(4-chlorophenyl)-1-[2-(1,3-dioxan-2-yl)ethyl]-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one has a molecular weight of 480.95 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-chlorophenyl)-1-[2-(1,3-dioxan-2-yl)ethyl]-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 59485640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).