N-(3,4-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide

C24H21F3N4OS — CID 20890915

IUPACN-(3,4-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c(SCc3cccc(C(F)(F)F)c3)nc3ccncc32)cc1C
InChIInChI=1S/C24H21F3N4OS/c1-15-6-7-19(10-16(15)2)29-22(32)13-31-21-12-28-9-8-20(21)30-23(31)33-14-17-4-3-5-18(11-17)24(25,26)27/h3-12H,13-14H2,1-2H3,(H,29,32)
InChIKeyJFLJMTRBIMGNLL-UHFFFAOYSA-N
MW470.52 g/mol
LogP6.00
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide

N-(3,4-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide (PubChem CID 20890915) has the molecular formula C24H21F3N4OS and a molecular weight of 470.52 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
PubChem CID20890915
Molecular FormulaC24H21F3N4OS
Molecular Weight470.52 g/mol
Exact Mass470.14
IUPAC NameN-(3,4-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c(SCc3cccc(C(F)(F)F)c3)nc3ccncc32)cc1C
InChIInChI=1S/C24H21F3N4OS/c1-15-6-7-19(10-16(15)2)29-22(32)13-31-21-12-28-9-8-20(21)30-23(31)33-14-17-4-3-5-18(11-17)24(25,26)27/h3-12H,13-14H2,1-2H3,(H,29,32)
InChIKeyJFLJMTRBIMGNLL-UHFFFAOYSA-N
XLogP6.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.52
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890916
2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethylphenyl)acetamide
CID 20890883
N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890917
N-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890530
N-[4-(dimethylamino)phenyl]-2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890591
2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide
CID 20890686
2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20890880
2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 20890651
N-(3,5-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890655
N-cyclopentyl-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
CID 20890928
2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 46347596
N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908721

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide (CID 20890915) is N-(3,4-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide is Cc1ccc(NC(=O)Cn2c(SCc3cccc(C(F)(F)F)c3)nc3ccncc32)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
The InChIKey is JFLJMTRBIMGNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4OS/c1-15-6-7-19(10-16(15)2)29-22(32)13-31-21-12-28-9-8-20(21)30-23(31)33-14-17-4-3-5-18(11-17)24(25,26)27/h3-12H,13-14H2,1-2H3,(H,29,32).
What are the key properties of N-(3,4-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide has a molecular weight of 470.52 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 20890915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).