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675882-72-1 | Benzoxazole, 5-methyl-2-(4-methyl-2-propyl-1H-benzimidazol-6-yl)-
CAS No: 675882-72-1 Catalog No: AG005M6W MDL No:
Product Description
Catalog Number:
AG005M6W
Chemical Name:
Benzoxazole, 5-methyl-2-(4-methyl-2-propyl-1H-benzimidazol-6-yl)-
CAS Number:
675882-72-1
Molecular Formula:
C19H19N3O
Molecular Weight:
305.3737
IUPAC Name:
5-methyl-2-(7-methyl-2-propyl-3H-benzimidazol-5-yl)-1,3-benzoxazole
InChI:
InChI=1S/C19H19N3O/c1-4-5-17-20-15-10-13(9-12(3)18(15)22-17)19-21-14-8-11(2)6-7-16(14)23-19/h6-10H,4-5H2,1-3H3,(H,20,22)
InChI Key:
GGMJYXIRAPHGPP-UHFFFAOYSA-N
SMILES:
CCCc1nc2c([nH]1)cc(cc2C)c1nc2c(o1)ccc(c2)C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.381g/mol
Monoisotopic Mass:
305.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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