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Home > Imidazoles > 455311-98-5
455311-98-5 | 1H-Benzimidazole-1-ethanol, 2,3-dihydro-2-imino-alpha-(phenoxymethyl)-3-(phenylmethyl)- monohydrochloride
CAS No: 455311-98-5 Catalog No: AG00DLTI MDL No:
Product Description
Catalog Number:
AG00DLTI
Chemical Name:
1H-Benzimidazole-1-ethanol, 2,3-dihydro-2-imino-alpha-(phenoxymethyl)-3-(phenylmethyl)- monohydrochloride
CAS Number:
455311-98-5
IUPAC Name:
1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol;hydrochloride
InChI:
InChI=1S/C23H23N3O2.ClH/c24-23-25(15-18-9-3-1-4-10-18)21-13-7-8-14-22(21)26(23)16-19(27)17-28-20-11-5-2-6-12-20;/h1-14,19,24,27H,15-17H2;1H
InChI Key:
KDMXJFUGIDGZQL-UHFFFAOYSA-N
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.156g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
409.914g/mol
Monoisotopic Mass:
409.156g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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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