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143426-42-0 | 1H-Benzimidazole, 2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-
CAS No: 143426-42-0 Catalog No: AG007YWI MDL No:
Product Description
Catalog Number:
AG007YWI
Chemical Name:
1H-Benzimidazole, 2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-
CAS Number:
143426-42-0
Molecular Formula:
C18H18N2O3
Molecular Weight:
310.3471
IUPAC Name:
2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-benzimidazole
InChI:
InChI=1S/C18H18N2O3/c1-21-15-10-12(11-16(22-2)18(15)23-3)8-9-17-19-13-6-4-5-7-14(13)20-17/h4-11H,1-3H3,(H,19,20)
InChI Key:
XBNZFAADBWHJFY-UHFFFAOYSA-N
SMILES:
COc1cc(C=Cc2nc3c([nH]2)cccc3)cc(c1OC)OC
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.353g/mol
Monoisotopic Mass:
310.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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