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824403-74-9 | 2-Piperidin-4-yl-1H-benzoimidazole hydrochloride
CAS No: 824403-74-9 Catalog No: AG00G419 MDL No:MFCD02178927
Product Description
Catalog Number:
AG00G419
Chemical Name:
2-Piperidin-4-yl-1H-benzoimidazole hydrochloride
CAS Number:
824403-74-9
Molecular Formula:
C12H16ClN3
Molecular Weight:
237.7285
MDL Number:
MFCD02178927
IUPAC Name:
2-piperidin-4-yl-1H-benzimidazole;hydrochloride
InChI:
InChI=1S/C12H15N3.ClH/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2,(H,14,15);1H
InChI Key:
JUPRHWFNRDEYSQ-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)c1nc2c([nH]1)cccc2.Cl
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
237.731g/mol
Monoisotopic Mass:
237.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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