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943650-25-7 | 2-(1-propyl-4-piperidinyl)-1H-benzimidazole-7-carboxamide butanedioic acid
CAS No: 943650-25-7 Catalog No: AG00II3A MDL No:
Product Description
Catalog Number:
AG00II3A
Chemical Name:
2-(1-propyl-4-piperidinyl)-1H-benzimidazole-7-carboxamide butanedioic acid
CAS Number:
943650-25-7
Molecular Formula:
C20H28N4O5
Molecular Weight:
404.4601
IUPAC Name:
butanedioic acid;2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
InChI:
InChI=1S/C16H22N4O.C4H6O4/c1-2-8-20-9-6-11(7-10-20)16-18-13-5-3-4-12(15(17)21)14(13)19-16;5-3(6)1-2-4(7)8/h3-5,11H,2,6-10H2,1H3,(H2,17,21)(H,18,19);1-2H2,(H,5,6)(H,7,8)
InChI Key:
GWFBXGWIRCSOAO-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)O.CCCN1CCC(CC1)c1nc2c([nH]1)c(ccc2)C(=O)N
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.206g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
404.467g/mol
Monoisotopic Mass:
404.206g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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