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95354-79-3 | Benzamide, N-butyl-N-[1-(1H-imidazol-1-yl)-2,2-dimethylpentyl]-
CAS No: 95354-79-3 Catalog No: AG006NIE MDL No:
Product Description
Catalog Number:
AG006NIE
Chemical Name:
Benzamide, N-butyl-N-[1-(1H-imidazol-1-yl)-2,2-dimethylpentyl]-
CAS Number:
95354-79-3
Molecular Formula:
C21H31N3O
Molecular Weight:
341.4903
IUPAC Name:
N-butyl-N-(1-imidazol-1-yl-2,2-dimethylpentyl)benzamide
InChI:
InChI=1S/C21H31N3O/c1-5-7-15-24(19(25)18-11-9-8-10-12-18)20(21(3,4)13-6-2)23-16-14-22-17-23/h8-12,14,16-17,20H,5-7,13,15H2,1-4H3
InChI Key:
FSAIHLQSPJHNKJ-UHFFFAOYSA-N
SMILES:
CCCCN(C(C(CCC)(C)C)n1cncc1)C(=O)c1ccccc1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.247g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.499g/mol
Monoisotopic Mass:
341.247g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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