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Home > Imidazoles > 661464-17-1
661464-17-1 | 1H-Benzimidazolium, 1-ethyl-3-(2-phenylethyl)-, iodide
CAS No: 661464-17-1 Catalog No: AG00H7VV MDL No:
Product Description
Catalog Number:
AG00H7VV
Chemical Name:
1H-Benzimidazolium, 1-ethyl-3-(2-phenylethyl)-, iodide
CAS Number:
661464-17-1
Molecular Formula:
C17H21IN2
Molecular Weight:
380.2665
IUPAC Name:
1-ethyl-3-(2-phenylethyl)-1,2-dihydrobenzimidazol-1-ium;iodide
InChI:
InChI=1S/C17H20N2.HI/c1-2-18-14-19(17-11-7-6-10-16(17)18)13-12-15-8-4-3-5-9-15;/h3-11H,2,12-14H2,1H3;1H
InChI Key:
CALDPWNWHFRVGP-UHFFFAOYSA-N
SMILES:
CC[NH+]1CN(c2c1cccc2)CCc1ccccc1.[I-]
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.273g/mol
Monoisotopic Mass:
380.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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