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20224-10-6 | 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-phenyl-
CAS No: 20224-10-6 Catalog No: AG00285R MDL No:
Product Description
Catalog Number:
AG00285R
Chemical Name:
2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-phenyl-
CAS Number:
20224-10-6
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
IUPAC Name:
(E)-1-(1H-benzimidazol-2-yl)-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C16H12N2O/c19-15(11-10-12-6-2-1-3-7-12)16-17-13-8-4-5-9-14(13)18-16/h1-11H,(H,17,18)/b11-10+
InChI Key:
HRDWTSALKOENCD-ZHACJKMWSA-N
SMILES:
O=C(c1nc2c([nH]1)cccc2)C=Cc1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
248.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.285g/mol
Monoisotopic Mass:
248.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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