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

C23H21ClN2O3S — CID 58259601

IUPAC8-chloro-2-ethyl-3-[4-(3-ethylsulfonylphenoxy)phenyl]imidazo[1,2-a]pyridine
SMILESCCc1nc2c(Cl)cccn2c1-c1ccc(Oc2cccc(S(=O)(=O)CC)c2)cc1
InChIInChI=1S/C23H21ClN2O3S/c1-3-21-22(26-14-6-9-20(24)23(26)25-21)16-10-12-17(13-11-16)29-18-7-5-8-19(15-18)30(27,28)4-2/h5-15H,3-4H2,1-2H3
InChIKeyPRTZVCLZPMNJPV-UHFFFAOYSA-N
MW440.95 g/mol
LogP5.80
Rot. Bonds6

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

8-chloro-2-ethyl-3-[4-(3-ethylsulfonylphenoxy)phenyl]imidazo[1,2-a]pyridine (PubChem CID 58259601) has the molecular formula C23H21ClN2O3S and a molecular weight of 440.95 g/mol. Its IUPAC name is 8-chloro-2-ethyl-3-[4-(3-ethylsulfonylphenoxy)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-chloro-2-ethyl-3-[4-(3-ethylsulfonylphenoxy)phenyl]imidazo[1,2-a]pyridine
PubChem CID58259601
Molecular FormulaC23H21ClN2O3S
Molecular Weight440.95 g/mol
Exact Mass440.10
IUPAC Name8-chloro-2-ethyl-3-[4-(3-ethylsulfonylphenoxy)phenyl]imidazo[1,2-a]pyridine
SMILESCCc1nc2c(Cl)cccn2c1-c1ccc(Oc2cccc(S(=O)(=O)CC)c2)cc1
InChIInChI=1S/C23H21ClN2O3S/c1-3-21-22(26-14-6-9-20(24)23(26)25-21)16-10-12-17(13-11-16)29-18-7-5-8-19(15-18)30(27,28)4-2/h5-15H,3-4H2,1-2H3
InChIKeyPRTZVCLZPMNJPV-UHFFFAOYSA-N
XLogP5.80
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.95
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-ethyl-3-[4-(3-ethylsulfonylphenoxy)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 8-chloro-2-ethyl-3-[4-(3-ethylsulfonylphenoxy)phenyl]imidazo[1,2-a]pyridine (CID 58259601) is 8-chloro-2-ethyl-3-[4-(3-ethylsulfonylphenoxy)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-chloro-2-ethyl-3-[4-(3-ethylsulfonylphenoxy)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 8-chloro-2-ethyl-3-[4-(3-ethylsulfonylphenoxy)phenyl]imidazo[1,2-a]pyridine is CCc1nc2c(Cl)cccn2c1-c1ccc(Oc2cccc(S(=O)(=O)CC)c2)cc1.
What is the InChIKey of 8-chloro-2-ethyl-3-[4-(3-ethylsulfonylphenoxy)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is PRTZVCLZPMNJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3S/c1-3-21-22(26-14-6-9-20(24)23(26)25-21)16-10-12-17(13-11-16)29-18-7-5-8-19(15-18)30(27,28)4-2/h5-15H,3-4H2,1-2H3.
What are the key properties of 8-chloro-2-ethyl-3-[4-(3-ethylsulfonylphenoxy)phenyl]imidazo[1,2-a]pyridine?
8-chloro-2-ethyl-3-[4-(3-ethylsulfonylphenoxy)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 440.95 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-ethyl-3-[4-(3-ethylsulfonylphenoxy)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 58259601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).