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71080-08-5 | N-1H-BENZO[D]IMIDAZOL-2-YL-N'-CYCLOHEXYL-N'-(2-METHYL-4-QUINOLINYL)GUANIDINE
CAS No: 71080-08-5 Catalog No: AG0060GK MDL No:
Product Description
Catalog Number:
AG0060GK
Chemical Name:
N-1H-BENZO[D]IMIDAZOL-2-YL-N'-CYCLOHEXYL-N'-(2-METHYL-4-QUINOLINYL)GUANIDINE
CAS Number:
71080-08-5
Molecular Formula:
C24H26N6
Molecular Weight:
398.5034
IUPAC Name:
1-(1H-benzimidazol-2-yl)-2-cyclohexyl-3-(2-methylquinolin-4-yl)guanidine
InChI:
InChI=1S/C24H26N6/c1-16-15-22(18-11-5-6-12-19(18)25-16)29-23(26-17-9-3-2-4-10-17)30-24-27-20-13-7-8-14-21(20)28-24/h5-8,11-15,17H,2-4,9-10H2,1H3,(H3,25,26,27,28,29,30)
InChI Key:
VAXJLGMBENEDDX-UHFFFAOYSA-N
SMILES:
Cc1nc2ccccc2c(c1)N(C(=N)Nc1nc2c([nH]1)cccc2)C1CCCCC1
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.222g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
398.514g/mol
Monoisotopic Mass:
398.222g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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