2-[4-(4-chlorophenyl)-2-ethylsulfonylphenyl]-3,6-dimethylimidazo[4,5-c]pyridine

C22H20ClN3O2S — CID 129193248

IUPAC2-[4-(4-chlorophenyl)-2-ethylsulfonylphenyl]-3,6-dimethylimidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(C)ncc2n1C
InChIInChI=1S/C22H20ClN3O2S/c1-4-29(27,28)21-12-16(15-5-8-17(23)9-6-15)7-10-18(21)22-25-19-11-14(2)24-13-20(19)26(22)3/h5-13H,4H2,1-3H3
InChIKeyLTNNKQFNPMJGOC-UHFFFAOYSA-N
MW425.94 g/mol
LogP5.06
Rot. Bonds4

About 2-[4-(4-chlorophenyl)-2-ethylsulfonylphenyl]-3,6-dimethylimidazo[4,5-c]pyridine

2-[4-(4-chlorophenyl)-2-ethylsulfonylphenyl]-3,6-dimethylimidazo[4,5-c]pyridine (PubChem CID 129193248) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-ethylsulfonylphenyl]-3,6-dimethylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-ethylsulfonylphenyl]-3,6-dimethylimidazo[4,5-c]pyridine
PubChem CID129193248
Molecular FormulaC22H20ClN3O2S
Molecular Weight425.94 g/mol
Exact Mass425.10
IUPAC Name2-[4-(4-chlorophenyl)-2-ethylsulfonylphenyl]-3,6-dimethylimidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(C)ncc2n1C
InChIInChI=1S/C22H20ClN3O2S/c1-4-29(27,28)21-12-16(15-5-8-17(23)9-6-15)7-10-18(21)22-25-19-11-14(2)24-13-20(19)26(22)3/h5-13H,4H2,1-3H3
InChIKeyLTNNKQFNPMJGOC-UHFFFAOYSA-N
XLogP5.06
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.94
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide
CID 134167191
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine
CID 163697092
2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118893093
1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea
CID 158261625
2-[3-ethylsulfonyl-5-(4-ethylsulfonylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118656836
2-(4-chlorophenyl)-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole
CID 122646952
2-[5-(4-chloro-2-pyridinyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 130438567
3-(4-chlorophenyl)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 178171012
2-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-3-ethylsulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 161002267
2-[5-(6-chloro-5-methyl-3-pyridinyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 130438487
5-(4-chlorophenyl)-3-ethylsulfonyl-2-propan-2-ylpyridine
CID 131984207
5-ethylsulfonyl-2-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-benzothiazole
CID 121405277

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2-ethylsulfonylphenyl]-3,6-dimethylimidazo[4,5-c]pyridine?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-ethylsulfonylphenyl]-3,6-dimethylimidazo[4,5-c]pyridine (CID 129193248) is 2-[4-(4-chlorophenyl)-2-ethylsulfonylphenyl]-3,6-dimethylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-ethylsulfonylphenyl]-3,6-dimethylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-ethylsulfonylphenyl]-3,6-dimethylimidazo[4,5-c]pyridine is CCS(=O)(=O)c1cc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(C)ncc2n1C.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-ethylsulfonylphenyl]-3,6-dimethylimidazo[4,5-c]pyridine?
The InChIKey is LTNNKQFNPMJGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/c1-4-29(27,28)21-12-16(15-5-8-17(23)9-6-15)7-10-18(21)22-25-19-11-14(2)24-13-20(19)26(22)3/h5-13H,4H2,1-3H3.
What are the key properties of 2-[4-(4-chlorophenyl)-2-ethylsulfonylphenyl]-3,6-dimethylimidazo[4,5-c]pyridine?
2-[4-(4-chlorophenyl)-2-ethylsulfonylphenyl]-3,6-dimethylimidazo[4,5-c]pyridine has a molecular weight of 425.94 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2-ethylsulfonylphenyl]-3,6-dimethylimidazo[4,5-c]pyridine is sourced from PubChem (CID 129193248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).