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857070-67-8 | 1H-Benzimidazole-5-methanol, 2-[[3-(4-morpholinyl)propyl]amino]-
CAS No: 857070-67-8 Catalog No: AG004T4B MDL No:
Product Description
Catalog Number:
AG004T4B
Chemical Name:
1H-Benzimidazole-5-methanol, 2-[[3-(4-morpholinyl)propyl]amino]-
CAS Number:
857070-67-8
Molecular Formula:
C15H22N4O2
Molecular Weight:
290.3608
IUPAC Name:
[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
InChI:
InChI=1S/C15H22N4O2/c20-11-12-2-3-13-14(10-12)18-15(17-13)16-4-1-5-19-6-8-21-9-7-19/h2-3,10,20H,1,4-9,11H2,(H2,16,17,18)
InChI Key:
JBSDUDTXBQSWNN-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(c1)nc([nH]2)NCCCN1CCOCC1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.174g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
290.367g/mol
Monoisotopic Mass:
290.174g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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