(4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one

C25H27ClN6O4S — CID 59486010

IUPAC(4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
SMILESO=C1N(CCS(=O)(=O)N2CCNCC2)C[C@H](c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN6O4S/c26-20-4-6-21(7-5-20)32-23(19-2-1-3-22(16-19)36-24-17-28-8-9-29-24)18-30(25(32)33)14-15-37(34,35)31-12-10-27-11-13-31/h1-9,16-17,23,27H,10-15,18H2/t23-/m1/s1
InChIKeyWSRMTQIECGGEQP-HSZRJFAPSA-N
MW543.05 g/mol
LogP3.14
Rot. Bonds8

About (4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one

(4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one (PubChem CID 59486010) has the molecular formula C25H27ClN6O4S and a molecular weight of 543.05 g/mol. Its IUPAC name is (4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
PubChem CID59486010
Molecular FormulaC25H27ClN6O4S
Molecular Weight543.05 g/mol
Exact Mass542.15
IUPAC Name(4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
SMILESO=C1N(CCS(=O)(=O)N2CCNCC2)C[C@H](c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN6O4S/c26-20-4-6-21(7-5-20)32-23(19-2-1-3-22(16-19)36-24-17-28-8-9-29-24)18-30(25(32)33)14-15-37(34,35)31-12-10-27-11-13-31/h1-9,16-17,23,27H,10-15,18H2/t23-/m1/s1
InChIKeyWSRMTQIECGGEQP-HSZRJFAPSA-N
XLogP3.14
TPSA107.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.05
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
The IUPAC name of (4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one (CID 59486010) is (4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
The canonical SMILES for (4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one is O=C1N(CCS(=O)(=O)N2CCNCC2)C[C@H](c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1.
What is the InChIKey of (4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
The InChIKey is WSRMTQIECGGEQP-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H27ClN6O4S/c26-20-4-6-21(7-5-20)32-23(19-2-1-3-22(16-19)36-24-17-28-8-9-29-24)18-30(25(32)33)14-15-37(34,35)31-12-10-27-11-13-31/h1-9,16-17,23,27H,10-15,18H2/t23-/m1/s1.
What are the key properties of (4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
(4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one has a molecular weight of 543.05 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 59486010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).