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Home > Imidazoles > 827043-01-6
827043-01-6 | 1H-Benzimidazole-2-carboxamide, N-[3-(4-pyridinyloxy)phenyl]-
CAS No: 827043-01-6 Catalog No: AG004VV2 MDL No:
Product Description
Catalog Number:
AG004VV2
Chemical Name:
1H-Benzimidazole-2-carboxamide, N-[3-(4-pyridinyloxy)phenyl]-
CAS Number:
827043-01-6
Molecular Formula:
C19H14N4O2
Molecular Weight:
330.3401
IUPAC Name:
N-(3-pyridin-4-yloxyphenyl)-1H-benzimidazole-2-carboxamide
InChI:
InChI=1S/C19H14N4O2/c24-19(18-22-16-6-1-2-7-17(16)23-18)21-13-4-3-5-15(12-13)25-14-8-10-20-11-9-14/h1-12H,(H,21,24)(H,22,23)
InChI Key:
TVEKOOXVALNBGP-UHFFFAOYSA-N
SMILES:
O=C(c1nc2c([nH]1)cccc2)Nc1cccc(c1)Oc1ccncc1
Properties
Complexity:
455
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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