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59052-85-6 | 2-PIPERAZIN-1-YLMETHYL-1H-BENZOIMIDAZOLE
CAS No: 59052-85-6 Catalog No: AG00EAU9 MDL No:MFCD01075240
Product Description
Catalog Number:
AG00EAU9
Chemical Name:
2-PIPERAZIN-1-YLMETHYL-1H-BENZOIMIDAZOLE
CAS Number:
59052-85-6
Molecular Formula:
C12H16N4
Molecular Weight:
216.2822
MDL Number:
MFCD01075240
IUPAC Name:
2-(piperazin-1-ylmethyl)-1H-benzimidazole
InChI:
InChI=1S/C12H16N4/c1-2-4-11-10(3-1)14-12(15-11)9-16-7-5-13-6-8-16/h1-4,13H,5-9H2,(H,14,15)
InChI Key:
HZGYQWFLJSXVDQ-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)Cc1nc2c([nH]1)cccc2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.288g/mol
Monoisotopic Mass:
216.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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