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

C23H21ClN4OS — CID 20890883

IUPAC2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(SCc3cccc(Cl)c3)nc3ccncc32)cc1C
InChIInChI=1S/C23H21ClN4OS/c1-15-6-7-19(10-16(15)2)26-22(29)13-28-21-12-25-9-8-20(21)27-23(28)30-14-17-4-3-5-18(24)11-17/h3-12H,13-14H2,1-2H3,(H,26,29)
InChIKeyVQBLELZIRDKQBI-UHFFFAOYSA-N
MW436.97 g/mol
LogP5.63
Rot. Bonds6

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

2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 20890883) has the molecular formula C23H21ClN4OS and a molecular weight of 436.97 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID20890883
Molecular FormulaC23H21ClN4OS
Molecular Weight436.97 g/mol
Exact Mass436.11
IUPAC Name2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(SCc3cccc(Cl)c3)nc3ccncc32)cc1C
InChIInChI=1S/C23H21ClN4OS/c1-15-6-7-19(10-16(15)2)26-22(29)13-28-21-12-25-9-8-20(21)27-23(28)30-14-17-4-3-5-18(24)11-17/h3-12H,13-14H2,1-2H3,(H,26,29)
InChIKeyVQBLELZIRDKQBI-UHFFFAOYSA-N
XLogP5.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.97
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20890880
N-(3,4-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890915
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
N-(3-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890916
2-[(3-chlorophenyl)methylsulfanyl]-3-[(3-methylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890877
2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 20890651
4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(4-ethoxyphenyl)benzamide
CID 46288227
N-(3-chloro-2-methylphenyl)-2-[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890754
3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
CID 20890697
N-(3,5-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890655

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethylphenyl)acetamide (CID 20890883) is 2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2c(SCc3cccc(Cl)c3)nc3ccncc32)cc1C.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is VQBLELZIRDKQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4OS/c1-15-6-7-19(10-16(15)2)26-22(29)13-28-21-12-25-9-8-20(21)27-23(28)30-14-17-4-3-5-18(24)11-17/h3-12H,13-14H2,1-2H3,(H,26,29).
What are the key properties of 2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethylphenyl)acetamide?
2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 436.97 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 20890883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).