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87802-15-1 | 1,3,4-Oxadiazol-2(3H)-one, 5-(1,5-dimethyl-1H-benzimidazol-2-yl)-
CAS No: 87802-15-1 Catalog No: AG004K58 MDL No:
Product Description
Catalog Number:
AG004K58
Chemical Name:
1,3,4-Oxadiazol-2(3H)-one, 5-(1,5-dimethyl-1H-benzimidazol-2-yl)-
CAS Number:
87802-15-1
Molecular Formula:
C11H10N4O2
Molecular Weight:
230.2227
IUPAC Name:
5-(1,5-dimethylbenzimidazol-2-yl)-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C11H10N4O2/c1-6-3-4-8-7(5-6)12-9(15(8)2)10-13-14-11(16)17-10/h3-5H,1-2H3,(H,14,16)
InChI Key:
BENUVLYSFPBAER-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc(n2C)c1n[nH]c(=O)o1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.227g/mol
Monoisotopic Mass:
230.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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