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Home > Imidazoles > 1032-97-9
1032-97-9 | 2H-1-Benzopyran-2-one, 3-(1H-benzimidazol-2-yl)-
CAS No: 1032-97-9 Catalog No: AG0085VB MDL No:MFCD00426485
Product Description
Catalog Number:
AG0085VB
Chemical Name:
2H-1-Benzopyran-2-one, 3-(1H-benzimidazol-2-yl)-
CAS Number:
1032-97-9
Molecular Formula:
C16H10N2O2
Molecular Weight:
262.2628
MDL Number:
MFCD00426485
IUPAC Name:
3-(1H-benzimidazol-2-yl)chromen-2-one
InChI:
InChI=1S/C16H10N2O2/c19-16-11(9-10-5-1-4-8-14(10)20-16)15-17-12-6-2-3-7-13(12)18-15/h1-9H,(H,17,18)
InChI Key:
YRFHFTBLQARMCG-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2cc1c1nc2c([nH]1)cccc2
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.268g/mol
Monoisotopic Mass:
262.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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