2-[1-(2-chloro-4-methylphenyl)-4-methylimidazol-2-yl]sulfanyl-N-(2-chlorophenyl)acetamide

C19H17Cl2N3OS — CID 25218437

IUPAC2-[1-(2-chloro-4-methylphenyl)-4-methylimidazol-2-yl]sulfanyl-N-(2-chlorophenyl)acetamide
SMILESCc1ccc(-n2cc(C)nc2SCC(=O)Nc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C19H17Cl2N3OS/c1-12-7-8-17(15(21)9-12)24-10-13(2)22-19(24)26-11-18(25)23-16-6-4-3-5-14(16)20/h3-10H,11H2,1-2H3,(H,23,25)
InChIKeyTYHSHNHVWHLUBJ-UHFFFAOYSA-N
MW406.34 g/mol
LogP5.53
Rot. Bonds5

About 2-[1-(2-chloro-4-methylphenyl)-4-methylimidazol-2-yl]sulfanyl-N-(2-chlorophenyl)acetamide

2-[1-(2-chloro-4-methylphenyl)-4-methylimidazol-2-yl]sulfanyl-N-(2-chlorophenyl)acetamide (PubChem CID 25218437) has the molecular formula C19H17Cl2N3OS and a molecular weight of 406.34 g/mol. Its IUPAC name is 2-[1-(2-chloro-4-methylphenyl)-4-methylimidazol-2-yl]sulfanyl-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chloro-4-methylphenyl)-4-methylimidazol-2-yl]sulfanyl-N-(2-chlorophenyl)acetamide
PubChem CID25218437
Molecular FormulaC19H17Cl2N3OS
Molecular Weight406.34 g/mol
Exact Mass405.05
IUPAC Name2-[1-(2-chloro-4-methylphenyl)-4-methylimidazol-2-yl]sulfanyl-N-(2-chlorophenyl)acetamide
SMILESCc1ccc(-n2cc(C)nc2SCC(=O)Nc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C19H17Cl2N3OS/c1-12-7-8-17(15(21)9-12)24-10-13(2)22-19(24)26-11-18(25)23-16-6-4-3-5-14(16)20/h3-10H,11H2,1-2H3,(H,23,25)
InChIKeyTYHSHNHVWHLUBJ-UHFFFAOYSA-N
XLogP5.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.34
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-4-methylphenyl)-4-methylimidazol-2-yl]sulfanyl-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[1-(2-chloro-4-methylphenyl)-4-methylimidazol-2-yl]sulfanyl-N-(2-chlorophenyl)acetamide (CID 25218437) is 2-[1-(2-chloro-4-methylphenyl)-4-methylimidazol-2-yl]sulfanyl-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[1-(2-chloro-4-methylphenyl)-4-methylimidazol-2-yl]sulfanyl-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[1-(2-chloro-4-methylphenyl)-4-methylimidazol-2-yl]sulfanyl-N-(2-chlorophenyl)acetamide is Cc1ccc(-n2cc(C)nc2SCC(=O)Nc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 2-[1-(2-chloro-4-methylphenyl)-4-methylimidazol-2-yl]sulfanyl-N-(2-chlorophenyl)acetamide?
The InChIKey is TYHSHNHVWHLUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3OS/c1-12-7-8-17(15(21)9-12)24-10-13(2)22-19(24)26-11-18(25)23-16-6-4-3-5-14(16)20/h3-10H,11H2,1-2H3,(H,23,25).
What are the key properties of 2-[1-(2-chloro-4-methylphenyl)-4-methylimidazol-2-yl]sulfanyl-N-(2-chlorophenyl)acetamide?
2-[1-(2-chloro-4-methylphenyl)-4-methylimidazol-2-yl]sulfanyl-N-(2-chlorophenyl)acetamide has a molecular weight of 406.34 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-4-methylphenyl)-4-methylimidazol-2-yl]sulfanyl-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 25218437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).