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1261268-95-4 | Benzamide, N-[4-[6-[(2-methyl-1-oxopropyl)amino]-1H-benzimidazol-2-yl]phenyl]-
CAS No: 1261268-95-4 Catalog No: AG000RQ7 MDL No:MFCD18375239
Product Description
Catalog Number:
AG000RQ7
Chemical Name:
Benzamide, N-[4-[6-[(2-methyl-1-oxopropyl)amino]-1H-benzimidazol-2-yl]phenyl]-
CAS Number:
1261268-95-4
Molecular Formula:
C24H22N4O2
Molecular Weight:
398.4571
MDL Number:
MFCD18375239
IUPAC Name:
N-[4-[6-(2-methylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
InChI:
InChI=1S/C24H22N4O2/c1-15(2)23(29)26-19-12-13-20-21(14-19)28-22(27-20)16-8-10-18(11-9-16)25-24(30)17-6-4-3-5-7-17/h3-15H,1-2H3,(H,25,30)(H,26,29)(H,27,28)
InChI Key:
MHCCJNLNUNATSU-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)Nc1ccc2c(c1)[nH]c(n2)c1ccc(cc1)NC(=O)c1ccccc1
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.174g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
398.466g/mol
Monoisotopic Mass:
398.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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