(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one

C25H19ClN4O3 — CID 59485739

IUPAC(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2cccc(Oc3cnccn3)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H19ClN4O3/c26-18-4-8-20(9-5-18)32-21-10-6-19(7-11-21)30-23(15-29-25(30)31)17-2-1-3-22(14-17)33-24-16-27-12-13-28-24/h1-14,16,23H,15H2,(H,29,31)/t23-/m1/s1
InChIKeyPGBPAVPYTLKTLS-HSZRJFAPSA-N
MW458.91 g/mol
LogP5.99
Rot. Bonds6

About (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one

(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one (PubChem CID 59485739) has the molecular formula C25H19ClN4O3 and a molecular weight of 458.91 g/mol. Its IUPAC name is (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
PubChem CID59485739
Molecular FormulaC25H19ClN4O3
Molecular Weight458.91 g/mol
Exact Mass458.11
IUPAC Name(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2cccc(Oc3cnccn3)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H19ClN4O3/c26-18-4-8-20(9-5-18)32-21-10-6-19(7-11-21)30-23(15-29-25(30)31)17-2-1-3-22(14-17)33-24-16-27-12-13-28-24/h1-14,16,23H,15H2,(H,29,31)/t23-/m1/s1
InChIKeyPGBPAVPYTLKTLS-HSZRJFAPSA-N
XLogP5.99
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.91
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
The IUPAC name of (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one (CID 59485739) is (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one.
What is the SMILES notation for (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
The canonical SMILES for (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one is O=C1NC[C@H](c2cccc(Oc3cnccn3)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
The InChIKey is PGBPAVPYTLKTLS-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H19ClN4O3/c26-18-4-8-20(9-5-18)32-21-10-6-19(7-11-21)30-23(15-29-25(30)31)17-2-1-3-22(14-17)33-24-16-27-12-13-28-24/h1-14,16,23H,15H2,(H,29,31)/t23-/m1/s1.
What are the key properties of (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one has a molecular weight of 458.91 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 59485739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).