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138937-34-5 | 1H-Benzimidazole, 3a,4,5,6,7,7a-hexahydro-2-(phenylmethyl)-
CAS No: 138937-34-5 Catalog No: AG007ZNI MDL No:
Product Description
Catalog Number:
AG007ZNI
Chemical Name:
1H-Benzimidazole, 3a,4,5,6,7,7a-hexahydro-2-(phenylmethyl)-
CAS Number:
138937-34-5
Molecular Formula:
C14H18N2
Molecular Weight:
214.3061
IUPAC Name:
2-benzyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
InChI:
InChI=1S/C14H18N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-3,6-7,12-13H,4-5,8-10H2,(H,15,16)
InChI Key:
LGVFFRLNUJEWEU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CC1=NC2C(N1)CCCC2
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.312g/mol
Monoisotopic Mass:
214.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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