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

C23H21ClN2OS — CID 143830717

IUPAC8-chloro-2-ethyl-3-[3-(3-ethylsulfanylphenoxy)phenyl]imidazo[1,2-a]pyridine
SMILESCCSc1cccc(Oc2cccc(-c3c(CC)nc4c(Cl)cccn34)c2)c1
InChIInChI=1S/C23H21ClN2OS/c1-3-21-22(26-13-7-12-20(24)23(26)25-21)16-8-5-9-17(14-16)27-18-10-6-11-19(15-18)28-4-2/h5-15H,3-4H2,1-2H3
InChIKeyKVOWHAOGLBHEBV-UHFFFAOYSA-N
MW408.95 g/mol
LogP7.12
Rot. Bonds6

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

8-chloro-2-ethyl-3-[3-(3-ethylsulfanylphenoxy)phenyl]imidazo[1,2-a]pyridine (PubChem CID 143830717) has the molecular formula C23H21ClN2OS and a molecular weight of 408.95 g/mol. Its IUPAC name is 8-chloro-2-ethyl-3-[3-(3-ethylsulfanylphenoxy)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-chloro-2-ethyl-3-[3-(3-ethylsulfanylphenoxy)phenyl]imidazo[1,2-a]pyridine
PubChem CID143830717
Molecular FormulaC23H21ClN2OS
Molecular Weight408.95 g/mol
Exact Mass408.11
IUPAC Name8-chloro-2-ethyl-3-[3-(3-ethylsulfanylphenoxy)phenyl]imidazo[1,2-a]pyridine
SMILESCCSc1cccc(Oc2cccc(-c3c(CC)nc4c(Cl)cccn34)c2)c1
InChIInChI=1S/C23H21ClN2OS/c1-3-21-22(26-13-7-12-20(24)23(26)25-21)16-8-5-9-17(14-16)27-18-10-6-11-19(15-18)28-4-2/h5-15H,3-4H2,1-2H3
InChIKeyKVOWHAOGLBHEBV-UHFFFAOYSA-N
XLogP7.12
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.95
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-2-ethyl-3-[4-(3-ethylsulfonylphenoxy)phenyl]imidazo[1,2-a]pyridine
CID 58259601
N-[3-[3-(8-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)phenoxy]phenyl]sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine
CID 143830720
4-[3-[3-[2-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylbutanenitrile
CID 58259587
2-[8-chloro-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
CID 82529731
8-chloro-3-[4-(3-ethylsulfonylphenoxy)phenyl]-2-propan-2-ylimidazo[1,2-a]pyridine
CID 58259603
2-chloro-3-(3-methoxyphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 67201173
8-chloro-2-methyl-3-phenylimidazo[1,2-a]pyridine
CID 103095206
1-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-yn-1-one
CID 11232161
8-chloro-3-(4-methoxyphenyl)-2-methylimidazo[1,2-a]pyridine
CID 103095082
4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 10180400
3,6-dichloro-2-[(3-methoxyphenyl)sulfanylmethyl]pyridine
CID 55127840
8-chloro-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-amine
CID 103095037

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-ethyl-3-[3-(3-ethylsulfanylphenoxy)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 8-chloro-2-ethyl-3-[3-(3-ethylsulfanylphenoxy)phenyl]imidazo[1,2-a]pyridine (CID 143830717) is 8-chloro-2-ethyl-3-[3-(3-ethylsulfanylphenoxy)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-chloro-2-ethyl-3-[3-(3-ethylsulfanylphenoxy)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 8-chloro-2-ethyl-3-[3-(3-ethylsulfanylphenoxy)phenyl]imidazo[1,2-a]pyridine is CCSc1cccc(Oc2cccc(-c3c(CC)nc4c(Cl)cccn34)c2)c1.
What is the InChIKey of 8-chloro-2-ethyl-3-[3-(3-ethylsulfanylphenoxy)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is KVOWHAOGLBHEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2OS/c1-3-21-22(26-13-7-12-20(24)23(26)25-21)16-8-5-9-17(14-16)27-18-10-6-11-19(15-18)28-4-2/h5-15H,3-4H2,1-2H3.
What are the key properties of 8-chloro-2-ethyl-3-[3-(3-ethylsulfanylphenoxy)phenyl]imidazo[1,2-a]pyridine?
8-chloro-2-ethyl-3-[3-(3-ethylsulfanylphenoxy)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 408.95 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-ethyl-3-[3-(3-ethylsulfanylphenoxy)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 143830717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).