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918890-10-5 | 1H-Benzimidazole, 2-[(5-methyl-3-isoxazolyl)methyl]-1-(2-propyn-1-yl)-
CAS No: 918890-10-5 Catalog No: AG006ANF MDL No:
Product Description
Catalog Number:
AG006ANF
Chemical Name:
1H-Benzimidazole, 2-[(5-methyl-3-isoxazolyl)methyl]-1-(2-propyn-1-yl)-
CAS Number:
918890-10-5
Molecular Formula:
C15H13N3O
Molecular Weight:
251.2832
IUPAC Name:
5-methyl-3-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]-1,2-oxazole
InChI:
InChI=1S/C15H13N3O/c1-3-8-18-14-7-5-4-6-13(14)16-15(18)10-12-9-11(2)19-17-12/h1,4-7,9H,8,10H2,2H3
InChI Key:
UNFWSGKOVHMDDB-UHFFFAOYSA-N
SMILES:
C#CCn1c(Cc2noc(c2)C)nc2c1cccc2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.289g/mol
Monoisotopic Mass:
251.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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