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

C22H19ClN2O2 — CID 71091242

IUPAC(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one
SMILESCc1cccc([C@H]2CNC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C22H19ClN2O2/c1-15-3-2-4-16(13-15)21-14-24-22(26)25(21)18-7-11-20(12-8-18)27-19-9-5-17(23)6-10-19/h2-13,21H,14H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyJCZXUEDDCJQNCO-OAQYLSRUSA-N
MW378.86 g/mol
LogP5.71
Rot. Bonds4

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

(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one (PubChem CID 71091242) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one
PubChem CID71091242
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one
SMILESCc1cccc([C@H]2CNC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C22H19ClN2O2/c1-15-3-2-4-16(13-15)21-14-24-22(26)25(21)18-7-11-20(12-8-18)27-19-9-5-17(23)6-10-19/h2-13,21H,14H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyJCZXUEDDCJQNCO-OAQYLSRUSA-N
XLogP5.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one?
The IUPAC name of (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one (CID 71091242) is (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one.
What is the SMILES notation for (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one?
The canonical SMILES for (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one is Cc1cccc([C@H]2CNC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one?
The InChIKey is JCZXUEDDCJQNCO-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-15-3-2-4-16(13-15)21-14-24-22(26)25(21)18-7-11-20(12-8-18)27-19-9-5-17(23)6-10-19/h2-13,21H,14H2,1H3,(H,24,26)/t21-/m1/s1.
What are the key properties of (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one?
(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one has a molecular weight of 378.86 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one is sourced from PubChem (CID 71091242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).