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6772-67-4 | N-(2-furylmethyl)-1-(3,4,5-trimethoxyphenyl)benzoimidazole-5-carboxamide
CAS No: 6772-67-4 Catalog No: AG0063RU MDL No:
Product Description
Catalog Number:
AG0063RU
Chemical Name:
N-(2-furylmethyl)-1-(3,4,5-trimethoxyphenyl)benzoimidazole-5-carboxamide
CAS Number:
6772-67-4
Molecular Formula:
C22H21N3O5
Molecular Weight:
407.4192
IUPAC Name:
N-(furan-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
InChI:
InChI=1S/C22H21N3O5/c1-27-19-10-15(11-20(28-2)21(19)29-3)25-13-24-17-9-14(6-7-18(17)25)22(26)23-12-16-5-4-8-30-16/h4-11,13H,12H2,1-3H3,(H,23,26)
InChI Key:
FHWHFVJGLWJQPW-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)n1cnc2c1ccc(c2)C(=O)NCc1ccco1
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.148g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
407.426g/mol
Monoisotopic Mass:
407.148g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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