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Home > Imidazoles > 909861-31-0
909861-31-0 | 1-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-5-ol
CAS No: 909861-31-0 Catalog No: AG00J859 MDL No:MFCD04221991
Product Description
Catalog Number:
AG00J859
Chemical Name:
1-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-5-ol
CAS Number:
909861-31-0
Molecular Formula:
C17H14N4O2
Molecular Weight:
306.3187
MDL Number:
MFCD04221991
IUPAC Name:
2-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-pyrazol-3-one
InChI:
InChI=1S/C17H14N4O2/c1-23-12-8-6-11(7-9-12)15-10-16(22)21(20-15)17-18-13-4-2-3-5-14(13)19-17/h2-10,20H,1H3,(H,18,19)
InChI Key:
JFKKBFIRBQCLPC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nn(c(c1)O)c1nc2c([nH]1)cccc2
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.112g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.325g/mol
Monoisotopic Mass:
306.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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