200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 87233-58-7
87233-58-7 | 1H-Benzimidazole, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1-(2-(2-propynyloxy)ethyl)-, (E)-2-butenedioate (1:2)
CAS No: 87233-58-7 Catalog No: AG004MNE MDL No:
Product Description
Catalog Number:
AG004MNE
Chemical Name:
1H-Benzimidazole, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1-(2-(2-propynyloxy)ethyl)-, (E)-2-butenedioate (1:2)
CAS Number:
87233-58-7
Molecular Formula:
C26H32N4O9
Molecular Weight:
544.5537
IUPAC Name:
but-2-enedioic acid;2-(4-methyl-1,4-diazepan-1-yl)-1-(2-prop-2-ynoxyethyl)benzimidazole
InChI:
InChI=1S/C18H24N4O.2C4H4O4/c1-3-14-23-15-13-22-17-8-5-4-7-16(17)19-18(22)21-10-6-9-20(2)11-12-21;2*5-3(6)1-2-4(7)8/h1,4-5,7-8H,6,9-15H2,2H3;2*1-2H,(H,5,6)(H,7,8)
InChI Key:
VZISVXYMUGGCDS-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/C(=O)O.OC(=O)/C=C/C(=O)O.C#CCOCCn1c(nc2c1cccc2)N1CCCN(CC1)C
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
544.217g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
544.561g/mol
Monoisotopic Mass:
544.217g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.