3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide

C26H23Cl2N3OS — CID 23832975

IUPAC3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide
SMILESCc1ccc(-c2nc(SCCC(=O)Nc3ccc(Cl)cc3Cl)[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C26H23Cl2N3OS/c1-16-3-7-18(8-4-16)24-25(19-9-5-17(2)6-10-19)31-26(30-24)33-14-13-23(32)29-22-12-11-20(27)15-21(22)28/h3-12,15H,13-14H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyABRXMDGXERCDFK-UHFFFAOYSA-N
MW496.46 g/mol
LogP7.79
Rot. Bonds7

About 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide

3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide (PubChem CID 23832975) has the molecular formula C26H23Cl2N3OS and a molecular weight of 496.46 g/mol. Its IUPAC name is 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide
PubChem CID23832975
Molecular FormulaC26H23Cl2N3OS
Molecular Weight496.46 g/mol
Exact Mass495.09
IUPAC Name3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide
SMILESCc1ccc(-c2nc(SCCC(=O)Nc3ccc(Cl)cc3Cl)[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C26H23Cl2N3OS/c1-16-3-7-18(8-4-16)24-25(19-9-5-17(2)6-10-19)31-26(30-24)33-14-13-23(32)29-22-12-11-20(27)15-21(22)28/h3-12,15H,13-14H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyABRXMDGXERCDFK-UHFFFAOYSA-N
XLogP7.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.46
LogP ≤ 57.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 23775143
3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 23804159
3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 23775094
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-fluorophenyl)propanamide
CID 23861401
3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 23745934
N-(2,4-dichlorophenyl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46305213
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2,4-dichlorobenzamide
CID 69443523
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-iodophenyl)propanamide
CID 23889215
N-(4,6-dimethyl-2-pyridinyl)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanamide
CID 54116135
N-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23804232
3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide
CID 23861371
4-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid
CID 23804200

Frequently Asked Questions

What is the IUPAC name of 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide?
The IUPAC name of 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide (CID 23832975) is 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide is Cc1ccc(-c2nc(SCCC(=O)Nc3ccc(Cl)cc3Cl)[nH]c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide?
The InChIKey is ABRXMDGXERCDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N3OS/c1-16-3-7-18(8-4-16)24-25(19-9-5-17(2)6-10-19)31-26(30-24)33-14-13-23(32)29-22-12-11-20(27)15-21(22)28/h3-12,15H,13-14H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide?
3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide has a molecular weight of 496.46 g/mol, XLogP of 7.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 23832975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).