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88696-10-0 | Methanone, 1H-benzimidazol-2-yl(4-propylphenyl)-
CAS No: 88696-10-0 Catalog No: AG0047N1 MDL No:
Product Description
Catalog Number:
AG0047N1
Chemical Name:
Methanone, 1H-benzimidazol-2-yl(4-propylphenyl)-
CAS Number:
88696-10-0
Molecular Formula:
C17H16N2O
Molecular Weight:
264.3217
IUPAC Name:
1H-benzimidazol-2-yl-(4-propylphenyl)methanone
InChI:
InChI=1S/C17H16N2O/c1-2-5-12-8-10-13(11-9-12)16(20)17-18-14-6-3-4-7-15(14)19-17/h3-4,6-11H,2,5H2,1H3,(H,18,19)
InChI Key:
KJTSJUGDSAGWGG-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)C(=O)c1nc2c([nH]1)cccc2
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.328g/mol
Monoisotopic Mass:
264.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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