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Home > Imidazoles > 1242165-91-8
1242165-91-8 | 1H-Benzimidazole, 2-[2-(1-methyl-1H-pyrrol-2-yl)ethyl]-1-(phenylmethyl)-
CAS No: 1242165-91-8 Catalog No: AG000LOS MDL No:
Product Description
Catalog Number:
AG000LOS
Chemical Name:
1H-Benzimidazole, 2-[2-(1-methyl-1H-pyrrol-2-yl)ethyl]-1-(phenylmethyl)-
CAS Number:
1242165-91-8
Molecular Formula:
C21H21N3
Molecular Weight:
315.4115
IUPAC Name:
1-benzyl-2-[2-(1-methylpyrrol-2-yl)ethyl]benzimidazole
InChI:
InChI=1S/C21H21N3/c1-23-15-7-10-18(23)13-14-21-22-19-11-5-6-12-20(19)24(21)16-17-8-3-2-4-9-17/h2-12,15H,13-14,16H2,1H3
InChI Key:
WVZMKPWRPYRODD-UHFFFAOYSA-N
SMILES:
Cn1cccc1CCc1nc2c(n1Cc1ccccc1)cccc2
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.174g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.42g/mol
Monoisotopic Mass:
315.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
22.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Design and synthesis of novel benzimidazole derivatives as inhibitors of hepatitis B virus. | Bioorganic & medicinal chemistry 20100715 |
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