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180508-04-7 | 1H-Benzimidazole-7-carboxamide, N-1-azabicyclo[2.2.2]oct-3-yl-
CAS No: 180508-04-7 Catalog No: AG00221L MDL No:
Product Description
Catalog Number:
AG00221L
Chemical Name:
1H-Benzimidazole-7-carboxamide, N-1-azabicyclo[2.2.2]oct-3-yl-
CAS Number:
180508-04-7
Molecular Formula:
C15H18N4O
Molecular Weight:
270.3296
IUPAC Name:
N-(1-azabicyclo[2.2.2]octan-3-yl)-1H-benzimidazole-4-carboxamide
InChI:
InChI=1S/C15H18N4O/c20-15(11-2-1-3-12-14(11)17-9-16-12)18-13-8-19-6-4-10(13)5-7-19/h1-3,9-10,13H,4-8H2,(H,16,17)(H,18,20)
InChI Key:
PXZZTFWLAOPLPF-UHFFFAOYSA-N
SMILES:
O=C(c1cccc2c1[nH]cn2)NC1CN2CCC1CC2
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.148g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.336g/mol
Monoisotopic Mass:
270.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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