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209965-39-9 | Benzamide, N-[[(4-cyano-1H-imidazol-5-yl)propylamino]carbonyl]-
CAS No: 209965-39-9 Catalog No: AG002KHV MDL No:
Product Description
Catalog Number:
AG002KHV
Chemical Name:
Benzamide, N-[[(4-cyano-1H-imidazol-5-yl)propylamino]carbonyl]-
CAS Number:
209965-39-9
Molecular Formula:
C15H15N5O2
Molecular Weight:
297.3119
IUPAC Name:
N-[3-(4-cyano-1H-imidazol-5-yl)propylcarbamoyl]benzamide
InChI:
InChI=1S/C15H15N5O2/c16-9-13-12(18-10-19-13)7-4-8-17-15(22)20-14(21)11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-8H2,(H,18,19)(H2,17,20,21,22)
InChI Key:
FKOMLVIBGRESTC-UHFFFAOYSA-N
SMILES:
N#Cc1nc[nH]c1CCCNC(=O)NC(=O)c1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.123g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
297.318g/mol
Monoisotopic Mass:
297.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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