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292639-50-0 | 1H-Benzimidazole-1-ethanol, 3-butyl-2,3-dihydro-2-imino-
CAS No: 292639-50-0 Catalog No: AG002XW0 MDL No:
Product Description
Catalog Number:
AG002XW0
Chemical Name:
1H-Benzimidazole-1-ethanol, 3-butyl-2,3-dihydro-2-imino-
CAS Number:
292639-50-0
Molecular Formula:
C13H19N3O
Molecular Weight:
233.3095
IUPAC Name:
2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol
InChI:
InChI=1S/C13H19N3O/c1-2-3-8-15-11-6-4-5-7-12(11)16(9-10-17)13(15)14/h4-7,14,17H,2-3,8-10H2,1H3
InChI Key:
VPFNMWMZZWRKIL-UHFFFAOYSA-N
SMILES:
CCCCn1c(=N)n(c2c1cccc2)CCO
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.153g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.315g/mol
Monoisotopic Mass:
233.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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