2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C20H14Cl2F3N3S2 — CID 122641739

IUPAC2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc(-c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C20H14Cl2F3N3S2/c1-3-29-17-15(22)16(10-4-6-11(21)7-5-10)30-18(17)19-27-12-8-14(20(23,24)25)26-9-13(12)28(19)2/h4-9H,3H2,1-2H3
InChIKeyPFXWHIAQPABSLJ-UHFFFAOYSA-N
MW488.39 g/mol
LogP7.80
Rot. Bonds4

About 2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 122641739) has the molecular formula C20H14Cl2F3N3S2 and a molecular weight of 488.39 g/mol. Its IUPAC name is 2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID122641739
Molecular FormulaC20H14Cl2F3N3S2
Molecular Weight488.39 g/mol
Exact Mass487.00
IUPAC Name2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc(-c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C20H14Cl2F3N3S2/c1-3-29-17-15(22)16(10-4-6-11(21)7-5-10)30-18(17)19-27-12-8-14(20(23,24)25)26-9-13(12)28(19)2/h4-9H,3H2,1-2H3
InChIKeyPFXWHIAQPABSLJ-UHFFFAOYSA-N
XLogP7.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.39
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-ethylsulfanylthieno[3,2-b]thiophen-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 142460890
2-[5-(4-chlorophenyl)-2-ethylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 155738740
2-(4-chlorophenyl)-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole
CID 122646952
3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]thieno[2,3-b]pyridine
CID 130380491
2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135235222
2-[6-(3,5-dichloro-4-fluorophenyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430886
2-[6-(4-chlorophenyl)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 166991071
2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 146541024
2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135222430
5-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine
CID 154980356
2-[7-(2,4-dichlorophenyl)-2-ethylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 155738763
2-bromo-4-ethylsulfinyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole;hydrate
CID 162323588

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 122641739) is 2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc(-c2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is PFXWHIAQPABSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2F3N3S2/c1-3-29-17-15(22)16(10-4-6-11(21)7-5-10)30-18(17)19-27-12-8-14(20(23,24)25)26-9-13(12)28(19)2/h4-9H,3H2,1-2H3.
What are the key properties of 2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 488.39 g/mol, XLogP of 7.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 122641739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).