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516455-58-6 | 1-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-ol
CAS No: 516455-58-6 Catalog No: AG00J95P MDL No:MFCD03759868
Product Description
Catalog Number:
AG00J95P
Chemical Name:
1-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-ol
CAS Number:
516455-58-6
Molecular Formula:
C16H12N4O
Molecular Weight:
276.2927
MDL Number:
MFCD03759868
IUPAC Name:
2-(1H-benzimidazol-2-yl)-5-phenyl-1H-pyrazol-3-one
InChI:
InChI=1S/C16H12N4O/c21-15-10-14(11-6-2-1-3-7-11)19-20(15)16-17-12-8-4-5-9-13(12)18-16/h1-10,19H,(H,17,18)
InChI Key:
ZQVWBWDSXXBVDK-UHFFFAOYSA-N
SMILES:
Oc1cc(nn1c1nc2c([nH]1)cccc2)c1ccccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.299g/mol
Monoisotopic Mass:
276.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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