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Home > Imidazoles > 78620-32-3
78620-32-3 | 3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-(1-methyl-1H-benzimidazol-2-yl)-
CAS No: 78620-32-3 Catalog No: AG005K2W MDL No:
Product Description
Catalog Number:
AG005K2W
Chemical Name:
3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-(1-methyl-1H-benzimidazol-2-yl)-
CAS Number:
78620-32-3
Molecular Formula:
C10H9N5O
Molecular Weight:
215.2114
IUPAC Name:
3-(1-methylbenzimidazol-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
InChI:
InChI=1S/C10H9N5O/c1-15-7-5-3-2-4-6(7)11-9(15)8-12-10(16)14-13-8/h2-5H,1H3,(H2,12,13,14,16)
InChI Key:
HPRWECUPERGKNC-UHFFFAOYSA-N
SMILES:
O=c1[nH][nH]c(n1)c1nc2c(n1C)cccc2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.081g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.216g/mol
Monoisotopic Mass:
215.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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