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84257-85-2 | 1H-Benzimidazol-2-amine, N-[(2,4-dimethoxyphenyl)methylene]-
CAS No: 84257-85-2 Catalog No: AG004U6F MDL No:
Product Description
Catalog Number:
AG004U6F
Chemical Name:
1H-Benzimidazol-2-amine, N-[(2,4-dimethoxyphenyl)methylene]-
CAS Number:
84257-85-2
Molecular Formula:
C16H15N3O2
Molecular Weight:
281.3092
IUPAC Name:
N-(1H-benzimidazol-2-yl)-1-(2,4-dimethoxyphenyl)methanimine
InChI:
InChI=1S/C16H15N3O2/c1-20-12-8-7-11(15(9-12)21-2)10-17-16-18-13-5-3-4-6-14(13)19-16/h3-10H,1-2H3,(H,18,19)
InChI Key:
PNQGKILHPPVHCK-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OC)C=Nc1nc2c([nH]1)cccc2
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.315g/mol
Monoisotopic Mass:
281.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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