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

C25H20ClN5O2S — CID 143702696

IUPAC1-(4-aminosulfanylphenyl)-3-(4-chlorophenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one
SMILESNSc1ccc(N2CC(c3cccc(Oc4cccnn4)c3)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C25H20ClN5O2S/c26-18-6-8-20(9-7-18)31-23(16-30(25(31)32)19-10-12-22(34-27)13-11-19)17-3-1-4-21(15-17)33-24-5-2-14-28-29-24/h1-15,23H,16,27H2
InChIKeyNWUHHSFLACRQAF-UHFFFAOYSA-N
MW489.99 g/mol
LogP6.08
Rot. Bonds6

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

1-(4-aminosulfanylphenyl)-3-(4-chlorophenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one (PubChem CID 143702696) has the molecular formula C25H20ClN5O2S and a molecular weight of 489.99 g/mol. Its IUPAC name is 1-(4-aminosulfanylphenyl)-3-(4-chlorophenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-aminosulfanylphenyl)-3-(4-chlorophenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one
PubChem CID143702696
Molecular FormulaC25H20ClN5O2S
Molecular Weight489.99 g/mol
Exact Mass489.10
IUPAC Name1-(4-aminosulfanylphenyl)-3-(4-chlorophenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one
SMILESNSc1ccc(N2CC(c3cccc(Oc4cccnn4)c3)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C25H20ClN5O2S/c26-18-6-8-20(9-7-18)31-23(16-30(25(31)32)19-10-12-22(34-27)13-11-19)17-3-1-4-21(15-17)33-24-5-2-14-28-29-24/h1-15,23H,16,27H2
InChIKeyNWUHHSFLACRQAF-UHFFFAOYSA-N
XLogP6.08
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.99
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one
CID 59486046
2-[3-(4-chlorophenyl)-2-oxo-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-1-yl]ethanesulfinamide
CID 143702835
3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 87671627
3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one
CID 145417086
2-[1-(4-chlorophenyl)-2-oxo-5-(3-pyridazin-3-yloxyphenyl)imidazolidin-4-yl]ethanesulfonamide
CID 69047508
3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-2-yloxyphenyl)imidazolidin-2-one
CID 59485876
(4S)-3-[4-(4-chlorophenoxy)phenyl]-1-(2-methylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 59485933
(4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
CID 59485903
(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 59485739
(4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one
CID 59485641
3-(4-chlorophenoxy)pyridazine
CID 54052757
3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
CID 59485762

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminosulfanylphenyl)-3-(4-chlorophenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one?
The IUPAC name of 1-(4-aminosulfanylphenyl)-3-(4-chlorophenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one (CID 143702696) is 1-(4-aminosulfanylphenyl)-3-(4-chlorophenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-aminosulfanylphenyl)-3-(4-chlorophenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one?
The canonical SMILES for 1-(4-aminosulfanylphenyl)-3-(4-chlorophenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one is NSc1ccc(N2CC(c3cccc(Oc4cccnn4)c3)N(c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 1-(4-aminosulfanylphenyl)-3-(4-chlorophenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one?
The InChIKey is NWUHHSFLACRQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O2S/c26-18-6-8-20(9-7-18)31-23(16-30(25(31)32)19-10-12-22(34-27)13-11-19)17-3-1-4-21(15-17)33-24-5-2-14-28-29-24/h1-15,23H,16,27H2.
What are the key properties of 1-(4-aminosulfanylphenyl)-3-(4-chlorophenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one?
1-(4-aminosulfanylphenyl)-3-(4-chlorophenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one has a molecular weight of 489.99 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminosulfanylphenyl)-3-(4-chlorophenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 143702696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).