N-[2-(2,4-diphenyl-1H-imidazol-5-yl)ethyl]-4-pentylbenzenesulfonamide

C28H31N3O2S — CID 24825344

IUPACN-[2-(2,4-diphenyl-1H-imidazol-5-yl)ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C28H31N3O2S/c1-2-3-6-11-22-16-18-25(19-17-22)34(32,33)29-21-20-26-27(23-12-7-4-8-13-23)31-28(30-26)24-14-9-5-10-15-24/h4-5,7-10,12-19,29H,2-3,6,11,20-21H2,1H3,(H,30,31)
InChIKeyOHQKVAGCOJUASV-UHFFFAOYSA-N
MW473.64 g/mol
LogP6.00
Rot. Bonds11

About N-[2-(2,4-diphenyl-1H-imidazol-5-yl)ethyl]-4-pentylbenzenesulfonamide

N-[2-(2,4-diphenyl-1H-imidazol-5-yl)ethyl]-4-pentylbenzenesulfonamide (PubChem CID 24825344) has the molecular formula C28H31N3O2S and a molecular weight of 473.64 g/mol. Its IUPAC name is N-[2-(2,4-diphenyl-1H-imidazol-5-yl)ethyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-diphenyl-1H-imidazol-5-yl)ethyl]-4-pentylbenzenesulfonamide
PubChem CID24825344
Molecular FormulaC28H31N3O2S
Molecular Weight473.64 g/mol
Exact Mass473.21
IUPAC NameN-[2-(2,4-diphenyl-1H-imidazol-5-yl)ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C28H31N3O2S/c1-2-3-6-11-22-16-18-25(19-17-22)34(32,33)29-21-20-26-27(23-12-7-4-8-13-23)31-28(30-26)24-14-9-5-10-15-24/h4-5,7-10,12-19,29H,2-3,6,11,20-21H2,1H3,(H,30,31)
InChIKeyOHQKVAGCOJUASV-UHFFFAOYSA-N
XLogP6.00
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.64
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4,5-Tri-substituted imidazole, 6b
CID 24825345
N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide
CID 10151762
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 780101
N-{2-[5-(4-fluorophenyl)-2-phenyl-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825346
4-methyl-N-(2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenyl)benzenesulfonamide
CID 1147318
2-cyclohexyl-4,5-diphenyl-1H-imidazole
CID 1521754
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-trifluoromethyl-1H-imidazole
CID 9843038
N-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide
CID 10310958
2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide
CID 15989568
5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463565
5-(4-methylsulfonylphenyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole
CID 18463578
5-(3-Methylphenyl)-4-[4-(methylsulfonyl)phenyl]-2-(trifluoromethyl)-1H-imidazole
CID 18463582

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-diphenyl-1H-imidazol-5-yl)ethyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[2-(2,4-diphenyl-1H-imidazol-5-yl)ethyl]-4-pentylbenzenesulfonamide (CID 24825344) is N-[2-(2,4-diphenyl-1H-imidazol-5-yl)ethyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,4-diphenyl-1H-imidazol-5-yl)ethyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,4-diphenyl-1H-imidazol-5-yl)ethyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-[2-(2,4-diphenyl-1H-imidazol-5-yl)ethyl]-4-pentylbenzenesulfonamide?
The InChIKey is OHQKVAGCOJUASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2S/c1-2-3-6-11-22-16-18-25(19-17-22)34(32,33)29-21-20-26-27(23-12-7-4-8-13-23)31-28(30-26)24-14-9-5-10-15-24/h4-5,7-10,12-19,29H,2-3,6,11,20-21H2,1H3,(H,30,31).
What are the key properties of N-[2-(2,4-diphenyl-1H-imidazol-5-yl)ethyl]-4-pentylbenzenesulfonamide?
N-[2-(2,4-diphenyl-1H-imidazol-5-yl)ethyl]-4-pentylbenzenesulfonamide has a molecular weight of 473.64 g/mol, XLogP of 6.00, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-diphenyl-1H-imidazol-5-yl)ethyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 24825344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).