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132036-88-5

132036-88-5 | Methanone, (1-methyl-1H-indol-3-yl)[(6R)-4,5,6,7-tetrahydro-1H-benzimidazol-6-yl]-

CAS No: 132036-88-5 Catalog No: AG001037 MDL No:MFCD19686956

Product Description

Catalog Number:
AG001037
Chemical Name:
Methanone, (1-methyl-1H-indol-3-yl)[(6R)-4,5,6,7-tetrahydro-1H-benzimidazol-6-yl]-
CAS Number:
132036-88-5
Molecular Formula:
C17H17N3O
Molecular Weight:
279.3364
MDL Number:
MFCD19686956
IUPAC Name:
(1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
InChI:
InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1
InChI Key:
NTHPAPBPFQJABD-LLVKDONJSA-N
SMILES:
O=C(c1cn(c2c1cccc2)C)[C@@H]1CCc2c(C1)[nH]cn2
UNII:
7ZRO0SC54Y

Properties

Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
279.137g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
279.343g/mol
Monoisotopic Mass:
279.137g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Literature

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