N-[3-(2,4-diphenyl-1H-imidazol-5-yl)propyl]-4-(1-hydroxypropyl)benzenesulfonamide

C27H29N3O3S — CID 59641831

IUPACN-[3-(2,4-diphenyl-1H-imidazol-5-yl)propyl]-4-(1-hydroxypropyl)benzenesulfonamide
SMILESCCC(O)c1ccc(S(=O)(=O)NCCCc2[nH]c(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C27H29N3O3S/c1-2-25(31)20-15-17-23(18-16-20)34(32,33)28-19-9-14-24-26(21-10-5-3-6-11-21)30-27(29-24)22-12-7-4-8-13-22/h3-8,10-13,15-18,25,28,31H,2,9,14,19H2,1H3,(H,29,30)
InChIKeyAUVZNGQNWQXAQZ-UHFFFAOYSA-N
MW475.61 g/mol
LogP5.10
Rot. Bonds10

About N-[3-(2,4-diphenyl-1H-imidazol-5-yl)propyl]-4-(1-hydroxypropyl)benzenesulfonamide

N-[3-(2,4-diphenyl-1H-imidazol-5-yl)propyl]-4-(1-hydroxypropyl)benzenesulfonamide (PubChem CID 59641831) has the molecular formula C27H29N3O3S and a molecular weight of 475.61 g/mol. Its IUPAC name is N-[3-(2,4-diphenyl-1H-imidazol-5-yl)propyl]-4-(1-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2,4-diphenyl-1H-imidazol-5-yl)propyl]-4-(1-hydroxypropyl)benzenesulfonamide
PubChem CID59641831
Molecular FormulaC27H29N3O3S
Molecular Weight475.61 g/mol
Exact Mass475.19
IUPAC NameN-[3-(2,4-diphenyl-1H-imidazol-5-yl)propyl]-4-(1-hydroxypropyl)benzenesulfonamide
SMILESCCC(O)c1ccc(S(=O)(=O)NCCCc2[nH]c(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C27H29N3O3S/c1-2-25(31)20-15-17-23(18-16-20)34(32,33)28-19-9-14-24-26(21-10-5-3-6-11-21)30-27(29-24)22-12-7-4-8-13-22/h3-8,10-13,15-18,25,28,31H,2,9,14,19H2,1H3,(H,29,30)
InChIKeyAUVZNGQNWQXAQZ-UHFFFAOYSA-N
XLogP5.10
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.61
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide
CID 59641976
N-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
CID 24825346
N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 24825363
4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide
CID 24825345
N-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
CID 24825348
N-butyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 122174787
(1R)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethylsulfamoyl]-1-phenylethanamine
CID 59641848
N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 176561332
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide
CID 3731751
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide
CID 110414948
4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 3691488

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-diphenyl-1H-imidazol-5-yl)propyl]-4-(1-hydroxypropyl)benzenesulfonamide?
The IUPAC name of N-[3-(2,4-diphenyl-1H-imidazol-5-yl)propyl]-4-(1-hydroxypropyl)benzenesulfonamide (CID 59641831) is N-[3-(2,4-diphenyl-1H-imidazol-5-yl)propyl]-4-(1-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(2,4-diphenyl-1H-imidazol-5-yl)propyl]-4-(1-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for N-[3-(2,4-diphenyl-1H-imidazol-5-yl)propyl]-4-(1-hydroxypropyl)benzenesulfonamide is CCC(O)c1ccc(S(=O)(=O)NCCCc2[nH]c(-c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-[3-(2,4-diphenyl-1H-imidazol-5-yl)propyl]-4-(1-hydroxypropyl)benzenesulfonamide?
The InChIKey is AUVZNGQNWQXAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3S/c1-2-25(31)20-15-17-23(18-16-20)34(32,33)28-19-9-14-24-26(21-10-5-3-6-11-21)30-27(29-24)22-12-7-4-8-13-22/h3-8,10-13,15-18,25,28,31H,2,9,14,19H2,1H3,(H,29,30).
What are the key properties of N-[3-(2,4-diphenyl-1H-imidazol-5-yl)propyl]-4-(1-hydroxypropyl)benzenesulfonamide?
N-[3-(2,4-diphenyl-1H-imidazol-5-yl)propyl]-4-(1-hydroxypropyl)benzenesulfonamide has a molecular weight of 475.61 g/mol, XLogP of 5.10, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-diphenyl-1H-imidazol-5-yl)propyl]-4-(1-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 59641831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).