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88538-63-0 | Ethanone, 1-[4-(5-amino-1H-benzimidazol-1-yl)phenyl]-
CAS No: 88538-63-0 Catalog No: AG0046NN MDL No:
Product Description
Catalog Number:
AG0046NN
Chemical Name:
Ethanone, 1-[4-(5-amino-1H-benzimidazol-1-yl)phenyl]-
CAS Number:
88538-63-0
Molecular Formula:
C15H13N3O
Molecular Weight:
251.2832
IUPAC Name:
1-[4-(5-aminobenzimidazol-1-yl)phenyl]ethanone
InChI:
InChI=1S/C15H13N3O/c1-10(19)11-2-5-13(6-3-11)18-9-17-14-8-12(16)4-7-15(14)18/h2-9H,16H2,1H3
InChI Key:
WMLVWJBZGNHWTG-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)ncn2c1ccc(cc1)C(=O)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.289g/mol
Monoisotopic Mass:
251.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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