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827042-90-0 | 1H-Benzimidazole-2-carboxamide, N-[4-(3-pyridinyloxy)phenyl]-
CAS No: 827042-90-0 Catalog No: AG0059U8 MDL No:
Product Description
Catalog Number:
AG0059U8
Chemical Name:
1H-Benzimidazole-2-carboxamide, N-[4-(3-pyridinyloxy)phenyl]-
CAS Number:
827042-90-0
Molecular Formula:
C19H14N4O2
Molecular Weight:
330.3401
IUPAC Name:
N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide
InChI:
InChI=1S/C19H14N4O2/c24-19(18-22-16-5-1-2-6-17(16)23-18)21-13-7-9-14(10-8-13)25-15-4-3-11-20-12-15/h1-12H,(H,21,24)(H,22,23)
InChI Key:
UGOJDJWCUYPMQG-UHFFFAOYSA-N
SMILES:
O=C(c1nc2c([nH]1)cccc2)Nc1ccc(cc1)Oc1cccnc1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.112g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.347g/mol
Monoisotopic Mass:
330.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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