N-(2-chlorophenyl)-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetamide

C23H24ClN5O2S — CID 17471181

IUPACN-(2-chlorophenyl)-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetamide
SMILESCSc1ncc(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)n1-c1ccccc1
InChIInChI=1S/C23H24ClN5O2S/c1-32-23-25-15-20(29(23)17-7-3-2-4-8-17)22(31)28-13-11-27(12-14-28)16-21(30)26-19-10-6-5-9-18(19)24/h2-10,15H,11-14,16H2,1H3,(H,26,30)
InChIKeyILRPSOYKKIZBHT-UHFFFAOYSA-N
MW470.00 g/mol
LogP3.64
Rot. Bonds6

About N-(2-chlorophenyl)-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetamide (PubChem CID 17471181) has the molecular formula C23H24ClN5O2S and a molecular weight of 470.00 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetamide
PubChem CID17471181
Molecular FormulaC23H24ClN5O2S
Molecular Weight470.00 g/mol
Exact Mass469.13
IUPAC NameN-(2-chlorophenyl)-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetamide
SMILESCSc1ncc(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)n1-c1ccccc1
InChIInChI=1S/C23H24ClN5O2S/c1-32-23-25-15-20(29(23)17-7-3-2-4-8-17)22(31)28-13-11-27(12-14-28)16-21(30)26-19-10-6-5-9-18(19)24/h2-10,15H,11-14,16H2,1H3,(H,26,30)
InChIKeyILRPSOYKKIZBHT-UHFFFAOYSA-N
XLogP3.64
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.00
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetamide (CID 17471181) is N-(2-chlorophenyl)-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetamide is CSc1ncc(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)n1-c1ccccc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is ILRPSOYKKIZBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2S/c1-32-23-25-15-20(29(23)17-7-3-2-4-8-17)22(31)28-13-11-27(12-14-28)16-21(30)26-19-10-6-5-9-18(19)24/h2-10,15H,11-14,16H2,1H3,(H,26,30).
What are the key properties of N-(2-chlorophenyl)-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 470.00 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 17471181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).