8-chloro-3-[4-(3-ethylsulfonylphenoxy)phenyl]-2-propan-2-ylimidazo[1,2-a]pyridine

C24H23ClN2O3S — CID 58259603

IUPAC8-chloro-3-[4-(3-ethylsulfonylphenoxy)phenyl]-2-propan-2-ylimidazo[1,2-a]pyridine
SMILESCCS(=O)(=O)c1cccc(Oc2ccc(-c3c(C(C)C)nc4c(Cl)cccn34)cc2)c1
InChIInChI=1S/C24H23ClN2O3S/c1-4-31(28,29)20-8-5-7-19(15-20)30-18-12-10-17(11-13-18)23-22(16(2)3)26-24-21(25)9-6-14-27(23)24/h5-16H,4H2,1-3H3
InChIKeyRDORJCYVWHABGV-UHFFFAOYSA-N
MW454.98 g/mol
LogP6.36
Rot. Bonds6

About 8-chloro-3-[4-(3-ethylsulfonylphenoxy)phenyl]-2-propan-2-ylimidazo[1,2-a]pyridine

8-chloro-3-[4-(3-ethylsulfonylphenoxy)phenyl]-2-propan-2-ylimidazo[1,2-a]pyridine (PubChem CID 58259603) has the molecular formula C24H23ClN2O3S and a molecular weight of 454.98 g/mol. Its IUPAC name is 8-chloro-3-[4-(3-ethylsulfonylphenoxy)phenyl]-2-propan-2-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-[4-(3-ethylsulfonylphenoxy)phenyl]-2-propan-2-ylimidazo[1,2-a]pyridine
PubChem CID58259603
Molecular FormulaC24H23ClN2O3S
Molecular Weight454.98 g/mol
Exact Mass454.11
IUPAC Name8-chloro-3-[4-(3-ethylsulfonylphenoxy)phenyl]-2-propan-2-ylimidazo[1,2-a]pyridine
SMILESCCS(=O)(=O)c1cccc(Oc2ccc(-c3c(C(C)C)nc4c(Cl)cccn34)cc2)c1
InChIInChI=1S/C24H23ClN2O3S/c1-4-31(28,29)20-8-5-7-19(15-20)30-18-12-10-17(11-13-18)23-22(16(2)3)26-24-21(25)9-6-14-27(23)24/h5-16H,4H2,1-3H3
InChIKeyRDORJCYVWHABGV-UHFFFAOYSA-N
XLogP6.36
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.98
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[4-(3-ethylsulfonylphenoxy)phenyl]-2-propan-2-ylimidazo[1,2-a]pyridine?
The IUPAC name of 8-chloro-3-[4-(3-ethylsulfonylphenoxy)phenyl]-2-propan-2-ylimidazo[1,2-a]pyridine (CID 58259603) is 8-chloro-3-[4-(3-ethylsulfonylphenoxy)phenyl]-2-propan-2-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 8-chloro-3-[4-(3-ethylsulfonylphenoxy)phenyl]-2-propan-2-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 8-chloro-3-[4-(3-ethylsulfonylphenoxy)phenyl]-2-propan-2-ylimidazo[1,2-a]pyridine is CCS(=O)(=O)c1cccc(Oc2ccc(-c3c(C(C)C)nc4c(Cl)cccn34)cc2)c1.
What is the InChIKey of 8-chloro-3-[4-(3-ethylsulfonylphenoxy)phenyl]-2-propan-2-ylimidazo[1,2-a]pyridine?
The InChIKey is RDORJCYVWHABGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3S/c1-4-31(28,29)20-8-5-7-19(15-20)30-18-12-10-17(11-13-18)23-22(16(2)3)26-24-21(25)9-6-14-27(23)24/h5-16H,4H2,1-3H3.
What are the key properties of 8-chloro-3-[4-(3-ethylsulfonylphenoxy)phenyl]-2-propan-2-ylimidazo[1,2-a]pyridine?
8-chloro-3-[4-(3-ethylsulfonylphenoxy)phenyl]-2-propan-2-ylimidazo[1,2-a]pyridine has a molecular weight of 454.98 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[4-(3-ethylsulfonylphenoxy)phenyl]-2-propan-2-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 58259603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).