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Home > Imidazoles > 431909-12-5
431909-12-5 | [1-(3-PHENOXYPROPYL)-1H-BENZIMIDAZOL-2-YL]METHANOL
CAS No: 431909-12-5 Catalog No: AG00DAWI MDL No:MFCD03130284
Product Description
Catalog Number:
AG00DAWI
Chemical Name:
[1-(3-PHENOXYPROPYL)-1H-BENZIMIDAZOL-2-YL]METHANOL
CAS Number:
431909-12-5
Molecular Formula:
C17H18N2O2
Molecular Weight:
282.3370
MDL Number:
MFCD03130284
IUPAC Name:
[1-(3-phenoxypropyl)benzimidazol-2-yl]methanol
InChI:
InChI=1S/C17H18N2O2/c20-13-17-18-15-9-4-5-10-16(15)19(17)11-6-12-21-14-7-2-1-3-8-14/h1-5,7-10,20H,6,11-13H2
InChI Key:
GDGAVKMCOIIVSN-UHFFFAOYSA-N
SMILES:
OCc1nc2c(n1CCCOc1ccccc1)cccc2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.137g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.343g/mol
Monoisotopic Mass:
282.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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