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Home > Imidazoles > 827042-78-4
827042-78-4 | 1H-Benzimidazole-2-carboxamide, N-[4-(4-pyridinyloxy)phenyl]-
CAS No: 827042-78-4 Catalog No: AG0059U9 MDL No:
Product Description
Catalog Number:
AG0059U9
Chemical Name:
1H-Benzimidazole-2-carboxamide, N-[4-(4-pyridinyloxy)phenyl]-
CAS Number:
827042-78-4
Molecular Formula:
C19H14N4O2
Molecular Weight:
330.3401
IUPAC Name:
N-(4-pyridin-4-yloxyphenyl)-1H-benzimidazole-2-carboxamide
InChI:
InChI=1S/C19H14N4O2/c24-19(18-22-16-3-1-2-4-17(16)23-18)21-13-5-7-14(8-6-13)25-15-9-11-20-12-10-15/h1-12H,(H,21,24)(H,22,23)
InChI Key:
DUINLBQOKMGEOY-UHFFFAOYSA-N
SMILES:
O=C(c1nc2c([nH]1)cccc2)Nc1ccc(cc1)Oc1ccncc1
Properties
Complexity:
447
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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