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516455-57-5 | 1-(1H-benzimidazol-2-yl)-3-methyl-1H-pyrazol-5-ol
CAS No: 516455-57-5 Catalog No: AG00J95N MDL No:MFCD03759867
Product Description
Catalog Number:
AG00J95N
Chemical Name:
1-(1H-benzimidazol-2-yl)-3-methyl-1H-pyrazol-5-ol
CAS Number:
516455-57-5
Molecular Formula:
C11H10N4O
Molecular Weight:
214.2233
MDL Number:
MFCD03759867
IUPAC Name:
2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-3-one
InChI:
InChI=1S/C11H10N4O/c1-7-6-10(16)15(14-7)11-12-8-4-2-3-5-9(8)13-11/h2-6,14H,1H3,(H,12,13)
InChI Key:
RRXNULSELUJDDO-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)O)c1nc2c([nH]1)cccc2
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.228g/mol
Monoisotopic Mass:
214.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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