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824395-23-5 | 1H-Benzimidazol-5-amine, 2-[2-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-
CAS No: 824395-23-5 Catalog No: AG0051MM MDL No:
Product Description
Catalog Number:
AG0051MM
Chemical Name:
1H-Benzimidazol-5-amine, 2-[2-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-
CAS Number:
824395-23-5
Molecular Formula:
C18H17N5
Molecular Weight:
303.3611
IUPAC Name:
2-[2-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-3H-benzimidazol-5-amine
InChI:
InChI=1S/C18H17N5/c1-10-11(2)21-17(20-10)13-5-3-4-6-14(13)18-22-15-8-7-12(19)9-16(15)23-18/h3-9H,19H2,1-2H3,(H,20,21)(H,22,23)
InChI Key:
YXHPRTYIXPJGPS-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)nc([nH]2)c1ccccc1c1[nH]c(c(n1)C)C
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
303.369g/mol
Monoisotopic Mass:
303.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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