200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 139191-68-7
139191-68-7 | 3-Pentanone, 1,5-bis(5-hydroxy-1H-benzimidazol-2-yl)- (9CI)
CAS No: 139191-68-7 Catalog No: AG001AGD MDL No:
Product Description
Catalog Number:
AG001AGD
Chemical Name:
3-Pentanone, 1,5-bis(5-hydroxy-1H-benzimidazol-2-yl)- (9CI)
CAS Number:
139191-68-7
Molecular Formula:
C19H18N4O3
Molecular Weight:
350.3712
IUPAC Name:
1,5-bis(6-hydroxy-1H-benzimidazol-2-yl)pentan-3-one
InChI:
InChI=1S/C19H18N4O3/c24-11(3-7-18-20-14-5-1-12(25)9-16(14)22-18)4-8-19-21-15-6-2-13(26)10-17(15)23-19/h1-2,5-6,9-10,25-26H,3-4,7-8H2,(H,20,22)(H,21,23)
InChI Key:
IGCIQDDYHLGDGD-UHFFFAOYSA-N
SMILES:
O=C(CCc1nc2c([nH]1)ccc(c2)O)CCc1nc2c([nH]1)ccc(c2)O
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.138g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
350.378g/mol
Monoisotopic Mass:
350.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.