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1019-85-8 | 1H-Benzimidazole, 2-(4-chlorophenyl)-
CAS No: 1019-85-8 Catalog No: AG0005W0 MDL No:MFCD00224359
Product Description
Catalog Number:
AG0005W0
Chemical Name:
1H-Benzimidazole, 2-(4-chlorophenyl)-
CAS Number:
1019-85-8
Molecular Formula:
C13H9ClN2
Molecular Weight:
228.6770
MDL Number:
MFCD00224359
IUPAC Name:
2-(4-chlorophenyl)-1H-benzimidazole
InChI:
InChI=1S/C13H9ClN2/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,(H,15,16)
InChI Key:
PTXUJRTVWRYYTE-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nc2c([nH]1)cccc2
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.045g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.679g/mol
Monoisotopic Mass:
228.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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 |
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