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824394-30-1 | 1H-Benzimidazol-5-amine, 2-[2-(4,5-dihydro-2-oxazolyl)phenyl]-
CAS No: 824394-30-1 Catalog No: AG0051N0 MDL No:
Product Description
Catalog Number:
AG0051N0
Chemical Name:
1H-Benzimidazol-5-amine, 2-[2-(4,5-dihydro-2-oxazolyl)phenyl]-
CAS Number:
824394-30-1
Molecular Formula:
C16H14N4O
Molecular Weight:
278.3086
IUPAC Name:
2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3H-benzimidazol-5-amine
InChI:
InChI=1S/C16H14N4O/c17-10-5-6-13-14(9-10)20-15(19-13)11-3-1-2-4-12(11)16-18-7-8-21-16/h1-6,9H,7-8,17H2,(H,19,20)
InChI Key:
LZWGSNWGXYXRAW-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)nc([nH]2)c1ccccc1C1=NCCO1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.315g/mol
Monoisotopic Mass:
278.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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