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4-{[5-(1H-imidazol-2-yl)-4-phenyl-1H-imidazol-1-yl]methyl}benzene-1-sulfonamide

ChemBase ID: 420103
Molecular Formular: C19H17N5O2S
Molecular Mass: 379.43558
Monoisotopic Mass: 379.11029581
SMILES and InChIs

SMILES:
c1(n(cnc1c1ccccc1)Cc1ccc(S(=O)(=O)N)cc1)c1ncc[nH]1
Canonical SMILES:
NS(=O)(=O)c1ccc(cc1)Cn1cnc(c1c1ncc[nH]1)c1ccccc1
InChI:
InChI=1S/C19H17N5O2S/c20-27(25,26)16-8-6-14(7-9-16)12-24-13-23-17(15-4-2-1-3-5-15)18(24)19-21-10-11-22-19/h1-11,13H,12H2,(H,21,22)(H2,20,25,26)
InChIKey:
IPPKBNBDJKRZIT-UHFFFAOYSA-N

Cite this record

CBID:420103 http://www.chembase.cn/molecule-420103.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{[5-(1H-imidazol-2-yl)-4-phenyl-1H-imidazol-1-yl]methyl}benzene-1-sulfonamide
IUPAC Traditional name
4-{[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl}benzenesulfonamide
Synonyms
4-[(5'-phenyl-1H,3'H-2,4'-biimidazol-3'-yl)methyl]benzenesulfonamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 10.36838  H Acceptors
H Donor LogD (pH = 5.5) 1.8986851 
LogD (pH = 7.4) 2.2601125  Log P 2.2683327 
Molar Refractivity 113.3781 cm3 Polarizability 41.800022 Å3
Polar Surface Area 106.66 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.69  LOG S -3.41 
Polar Surface Area 106.66 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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