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Home > Imidazoles > 77557-02-9
77557-02-9 | 2H-Benzimidazol-2-one,1-butyl-1,3-dihydro-(9CI)
CAS No: 77557-02-9 Catalog No: AG00GQSD MDL No:MFCD01413283
Product Description
Catalog Number:
AG00GQSD
Chemical Name:
2H-Benzimidazol-2-one,1-butyl-1,3-dihydro-(9CI)
CAS Number:
77557-02-9
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD01413283
IUPAC Name:
3-butyl-1H-benzimidazol-2-one
InChI:
InChI=1S/C11H14N2O/c1-2-3-8-13-10-7-5-4-6-9(10)12-11(13)14/h4-7H,2-3,8H2,1H3,(H,12,14)
InChI Key:
IDAMRRQTIRIFIA-UHFFFAOYSA-N
SMILES:
CCCCn1c(=O)[nH]c2c1cccc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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