N-(2,4-dichlorophenyl)-2-[1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetamide

C23H20Cl2N4OS — CID 66547636

IUPACN-(2,4-dichlorophenyl)-2-[1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetamide
SMILESCc1cc(C)c(-n2c(SCC(=O)Nc3ccc(Cl)cc3Cl)nc3cnccc32)c(C)c1
InChIInChI=1S/C23H20Cl2N4OS/c1-13-8-14(2)22(15(3)9-13)29-20-6-7-26-11-19(20)28-23(29)31-12-21(30)27-18-5-4-16(24)10-17(18)25/h4-11H,12H2,1-3H3,(H,27,30)
InChIKeyICPHOPAXKNOBMS-UHFFFAOYSA-N
MW471.41 g/mol
LogP6.38
Rot. Bonds5

About N-(2,4-dichlorophenyl)-2-[1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetamide

N-(2,4-dichlorophenyl)-2-[1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetamide (PubChem CID 66547636) has the molecular formula C23H20Cl2N4OS and a molecular weight of 471.41 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetamide
PubChem CID66547636
Molecular FormulaC23H20Cl2N4OS
Molecular Weight471.41 g/mol
Exact Mass470.07
IUPAC NameN-(2,4-dichlorophenyl)-2-[1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetamide
SMILESCc1cc(C)c(-n2c(SCC(=O)Nc3ccc(Cl)cc3Cl)nc3cnccc32)c(C)c1
InChIInChI=1S/C23H20Cl2N4OS/c1-13-8-14(2)22(15(3)9-13)29-20-6-7-26-11-19(20)28-23(29)31-12-21(30)27-18-5-4-16(24)10-17(18)25/h4-11H,12H2,1-3H3,(H,27,30)
InChIKeyICPHOPAXKNOBMS-UHFFFAOYSA-N
XLogP6.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.41
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-[1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetamide
CID 66547635
2-[2-[2-bromo-4-(sulfinatoamino)anilino]-2-oxoethyl]sulfanyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridine
CID 66547803
N-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 4294773
N-(2,4-dichlorophenyl)-2-[(5-pyridin-4-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 26843357
N-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
CID 66546774
N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171471
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N-(2,4-dichlorophenyl)-2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19729123
N-(2-chloro-4-methylphenyl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112783686
N-(2-nitrophenyl)-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
CID 66546952
2-[[5-(4-chlorophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide
CID 126107768
N-(2-chloro-4-methylphenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
CID 20858397

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetamide (CID 66547636) is N-(2,4-dichlorophenyl)-2-[1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetamide is Cc1cc(C)c(-n2c(SCC(=O)Nc3ccc(Cl)cc3Cl)nc3cnccc32)c(C)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetamide?
The InChIKey is ICPHOPAXKNOBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4OS/c1-13-8-14(2)22(15(3)9-13)29-20-6-7-26-11-19(20)28-23(29)31-12-21(30)27-18-5-4-16(24)10-17(18)25/h4-11H,12H2,1-3H3,(H,27,30).
What are the key properties of N-(2,4-dichlorophenyl)-2-[1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetamide?
N-(2,4-dichlorophenyl)-2-[1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetamide has a molecular weight of 471.41 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetamide is sourced from PubChem (CID 66547636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).