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145858-50-0 | 1H-Benzimidazole, 6-[(3-chlorophenyl)-1H-imidazol-1-ylmethyl]-, hydrochloride (1:1)
CAS No: 145858-50-0 Catalog No: AG001DHF MDL No:
Product Description
Catalog Number:
AG001DHF
Chemical Name:
1H-Benzimidazole, 6-[(3-chlorophenyl)-1H-imidazol-1-ylmethyl]-, hydrochloride (1:1)
CAS Number:
145858-50-0
Molecular Formula:
C17H14Cl2N4
Molecular Weight:
345.2259
IUPAC Name:
6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-benzimidazole;hydrochloride
InChI:
InChI=1S/C17H13ClN4.ClH/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15;/h1-11,17H,(H,20,21);1H
InChI Key:
OTSZCHORPMQCBZ-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C(n1cncc1)c1ccc2c(c1)[nH]cn2.Cl
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.06g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
345.227g/mol
Monoisotopic Mass:
344.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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