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73931-85-8 | 3-(1H-Imidazol-1-yl)-1-(4-(2-phenylethyl)phenyl)-1-propanone
CAS No: 73931-85-8 Catalog No: AG005VJ3 MDL No:
Product Description
Catalog Number:
AG005VJ3
Chemical Name:
3-(1H-Imidazol-1-yl)-1-(4-(2-phenylethyl)phenyl)-1-propanone
CAS Number:
73931-85-8
Molecular Formula:
C20H20N2O
Molecular Weight:
304.3856
IUPAC Name:
3-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one
InChI:
InChI=1S/C20H20N2O/c23-20(12-14-22-15-13-21-16-22)19-10-8-18(9-11-19)7-6-17-4-2-1-3-5-17/h1-5,8-11,13,15-16H,6-7,12,14H2
InChI Key:
IPLHRGCVXWHUOY-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)CCc1ccccc1)CCn1ccnc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.393g/mol
Monoisotopic Mass:
304.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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