(4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one

C26H21ClN4O4S — CID 59486046

IUPAC(4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one
SMILESCS(=O)(=O)c1ccc(N2C[C@H](c3cccc(Oc4cccnn4)c3)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C26H21ClN4O4S/c1-36(33,34)23-13-11-20(12-14-23)30-17-24(31(26(30)32)21-9-7-19(27)8-10-21)18-4-2-5-22(16-18)35-25-6-3-15-28-29-25/h2-16,24H,17H2,1H3/t24-/m1/s1
InChIKeyIJLWYQKKGWXREK-XMMPIXPASA-N
MW521.00 g/mol
LogP5.51
Rot. Bonds6

About (4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one

(4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one (PubChem CID 59486046) has the molecular formula C26H21ClN4O4S and a molecular weight of 521.00 g/mol. Its IUPAC name is (4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one
PubChem CID59486046
Molecular FormulaC26H21ClN4O4S
Molecular Weight521.00 g/mol
Exact Mass520.10
IUPAC Name(4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one
SMILESCS(=O)(=O)c1ccc(N2C[C@H](c3cccc(Oc4cccnn4)c3)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C26H21ClN4O4S/c1-36(33,34)23-13-11-20(12-14-23)30-17-24(31(26(30)32)21-9-7-19(27)8-10-21)18-4-2-5-22(16-18)35-25-6-3-15-28-29-25/h2-16,24H,17H2,1H3/t24-/m1/s1
InChIKeyIJLWYQKKGWXREK-XMMPIXPASA-N
XLogP5.51
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.00
LogP ≤ 55.51
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-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one?
The IUPAC name of (4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one (CID 59486046) is (4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one?
The canonical SMILES for (4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one is CS(=O)(=O)c1ccc(N2C[C@H](c3cccc(Oc4cccnn4)c3)N(c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of (4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one?
The InChIKey is IJLWYQKKGWXREK-XMMPIXPASA-N. The full InChI is InChI=1S/C26H21ClN4O4S/c1-36(33,34)23-13-11-20(12-14-23)30-17-24(31(26(30)32)21-9-7-19(27)8-10-21)18-4-2-5-22(16-18)35-25-6-3-15-28-29-25/h2-16,24H,17H2,1H3/t24-/m1/s1.
What are the key properties of (4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one?
(4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one has a molecular weight of 521.00 g/mol, XLogP of 5.51, 6 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-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 59486046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).