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Home > Imidazoles > 16529-06-9
16529-06-9 | Benzoic acid, 2-(1H-benzimidazol-2-yl)-
CAS No: 16529-06-9 Catalog No: AG001W28 MDL No:MFCD00451266
Product Description
Catalog Number:
AG001W28
Chemical Name:
Benzoic acid, 2-(1H-benzimidazol-2-yl)-
CAS Number:
16529-06-9
Molecular Formula:
C14H10N2O2
Molecular Weight:
238.2414
MDL Number:
MFCD00451266
IUPAC Name:
2-(1H-benzimidazol-2-yl)benzoic acid
InChI:
InChI=1S/C14H10N2O2/c17-14(18)10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,(H,15,16)(H,17,18)
InChI Key:
LIGZUQZUEDNPGG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1c1nc2c([nH]1)cccc2
NSC Number:
252780
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.246g/mol
Monoisotopic Mass:
238.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis and QSAR evaluation of 2-(substituted phenyl)-1H-benzimidazoles and [2-(substituted phenyl)-benzimidazol-1-yl]-pyridin-3-yl-methanones. | European journal of medicinal chemistry 20090301 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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