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Home Imidazoles 139742-50-0
139742-50-0,MFCD02180372
Catalog No.:AA001BKP

139742-50-0 | 4-(1H-Benzimidazol-1-ylmethyl)benzoic acid

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Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$78.00   $55.00
- +
1g
95%
in stock  
$234.00   $164.00
- +
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA001BKP
Chemical Name:
4-(1H-Benzimidazol-1-ylmethyl)benzoic acid
CAS Number:
139742-50-0
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
MDL Number:
MFCD02180372
SMILES:
OC(=O)c1ccc(cc1)Cn1cnc2c1cccc2
Properties
Computed Properties
 
Complexity:
326  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.6  

Literature

Title: Second monoclinic polymorph of 4-[(1H-benzimidazol-1-yl)meth-yl]benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20111201

Title: Ortho-rhom-bic polymorph of 4-[(1H-benzimidazol-1-yl)meth-yl]benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20111101

Title: Monoclinic polymorph of 4-[(1H-benz-imidazol-1-yl)meth-yl]benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20111001

Title: A structure-permeability study of small drug-like molecules.

Journal: Bioorganic & medicinal chemistry letters 20030224

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