(2R,3S)-1-(3-chloro-2-methylphenyl)sulfonyl-2,3-bis(4-chlorophenyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one

C26H19Cl3N2O3S — CID 25051587

IUPAC(2R,3S)-1-(3-chloro-2-methylphenyl)sulfonyl-2,3-bis(4-chlorophenyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCc1c(Cl)cccc1S(=O)(=O)N1c2cccc(=O)n2[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C26H19Cl3N2O3S/c1-16-21(29)4-2-5-22(16)35(33,34)31-23-6-3-7-24(32)30(23)25(17-8-12-19(27)13-9-17)26(31)18-10-14-20(28)15-11-18/h2-15,25-26H,1H3/t25-,26+/m0/s1
InChIKeyMXQLPMXBXMMNNQ-IZZNHLLZSA-N
MW545.88 g/mol
LogP6.66
Rot. Bonds4

About (2R,3S)-1-(3-chloro-2-methylphenyl)sulfonyl-2,3-bis(4-chlorophenyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one

(2R,3S)-1-(3-chloro-2-methylphenyl)sulfonyl-2,3-bis(4-chlorophenyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one (PubChem CID 25051587) has the molecular formula C26H19Cl3N2O3S and a molecular weight of 545.88 g/mol. Its IUPAC name is (2R,3S)-1-(3-chloro-2-methylphenyl)sulfonyl-2,3-bis(4-chlorophenyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name(2R,3S)-1-(3-chloro-2-methylphenyl)sulfonyl-2,3-bis(4-chlorophenyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
PubChem CID25051587
Molecular FormulaC26H19Cl3N2O3S
Molecular Weight545.88 g/mol
Exact Mass544.02
IUPAC Name(2R,3S)-1-(3-chloro-2-methylphenyl)sulfonyl-2,3-bis(4-chlorophenyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCc1c(Cl)cccc1S(=O)(=O)N1c2cccc(=O)n2[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C26H19Cl3N2O3S/c1-16-21(29)4-2-5-22(16)35(33,34)31-23-6-3-7-24(32)30(23)25(17-8-12-19(27)13-9-17)26(31)18-10-14-20(28)15-11-18/h2-15,25-26H,1H3/t25-,26+/m0/s1
InChIKeyMXQLPMXBXMMNNQ-IZZNHLLZSA-N
XLogP6.66
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.88
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-(3-chloro-2-methylphenyl)sulfonyl-2,3-bis(4-chlorophenyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The IUPAC name of (2R,3S)-1-(3-chloro-2-methylphenyl)sulfonyl-2,3-bis(4-chlorophenyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one (CID 25051587) is (2R,3S)-1-(3-chloro-2-methylphenyl)sulfonyl-2,3-bis(4-chlorophenyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for (2R,3S)-1-(3-chloro-2-methylphenyl)sulfonyl-2,3-bis(4-chlorophenyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The canonical SMILES for (2R,3S)-1-(3-chloro-2-methylphenyl)sulfonyl-2,3-bis(4-chlorophenyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one is Cc1c(Cl)cccc1S(=O)(=O)N1c2cccc(=O)n2[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2R,3S)-1-(3-chloro-2-methylphenyl)sulfonyl-2,3-bis(4-chlorophenyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The InChIKey is MXQLPMXBXMMNNQ-IZZNHLLZSA-N. The full InChI is InChI=1S/C26H19Cl3N2O3S/c1-16-21(29)4-2-5-22(16)35(33,34)31-23-6-3-7-24(32)30(23)25(17-8-12-19(27)13-9-17)26(31)18-10-14-20(28)15-11-18/h2-15,25-26H,1H3/t25-,26+/m0/s1.
What are the key properties of (2R,3S)-1-(3-chloro-2-methylphenyl)sulfonyl-2,3-bis(4-chlorophenyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
(2R,3S)-1-(3-chloro-2-methylphenyl)sulfonyl-2,3-bis(4-chlorophenyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one has a molecular weight of 545.88 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-(3-chloro-2-methylphenyl)sulfonyl-2,3-bis(4-chlorophenyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 25051587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).