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23280-73-1 | 1H-Benzimidazole, 2-tricyclo[3.3.1.13,7]dec-1-yl-
CAS No: 23280-73-1 Catalog No: AG002MRR MDL No:MFCD00168201
Product Description
Catalog Number:
AG002MRR
Chemical Name:
1H-Benzimidazole, 2-tricyclo[3.3.1.13,7]dec-1-yl-
CAS Number:
23280-73-1
Molecular Formula:
C17H20N2
Molecular Weight:
252.3541
MDL Number:
MFCD00168201
IUPAC Name:
2-(1-adamantyl)-1H-benzimidazole
InChI:
InChI=1S/C17H20N2/c1-2-4-15-14(3-1)18-16(19-15)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,18,19)
InChI Key:
VZJQLKDAEBGCCW-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)[nH]c(n2)C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.361g/mol
Monoisotopic Mass:
252.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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