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933738-45-5 | 2-(piperidin-3-ylmethyl)-1H-benzimidazole
CAS No: 933738-45-5 Catalog No: AG00J1OP MDL No:MFCD09864417
Product Description
Catalog Number:
AG00J1OP
Chemical Name:
2-(piperidin-3-ylmethyl)-1H-benzimidazole
CAS Number:
933738-45-5
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
MDL Number:
MFCD09864417
IUPAC Name:
2-(piperidin-3-ylmethyl)-1H-benzimidazole
InChI:
InChI=1S/C13H17N3/c1-2-6-12-11(5-1)15-13(16-12)8-10-4-3-7-14-9-10/h1-2,5-6,10,14H,3-4,7-9H2,(H,15,16)
InChI Key:
ZXNJYJAWLLYPDM-UHFFFAOYSA-N
SMILES:
C1CCC(CN1)Cc1nc2c([nH]1)cccc2
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.3g/mol
Monoisotopic Mass:
215.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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