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89002-64-2 | 4H-Benzimidazole, 3a,5,6,7-tetrahydro-3a-methyl-2-phenyl-
CAS No: 89002-64-2 Catalog No: AG004528 MDL No:
Product Description
Catalog Number:
AG004528
Chemical Name:
4H-Benzimidazole, 3a,5,6,7-tetrahydro-3a-methyl-2-phenyl-
CAS Number:
89002-64-2
Molecular Formula:
C14H16N2
Molecular Weight:
212.2902
IUPAC Name:
3a-methyl-2-phenyl-4,5,6,7-tetrahydrobenzimidazole
InChI:
InChI=1S/C14H16N2/c1-14-10-6-5-9-12(14)15-13(16-14)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChI Key:
CFCHARDAYQAMFD-UHFFFAOYSA-N
SMILES:
CC12CCCCC2=NC(=N1)c1ccccc1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.296g/mol
Monoisotopic Mass:
212.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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