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105282-68-6 | 1H-Benzimidazole, 2,3-dihydro-1,3,5-trimethyl-2-phenyl-
CAS No: 105282-68-6 Catalog No: AG007F52 MDL No:
Product Description
Catalog Number:
AG007F52
Chemical Name:
1H-Benzimidazole, 2,3-dihydro-1,3,5-trimethyl-2-phenyl-
CAS Number:
105282-68-6
Molecular Formula:
C16H18N2
Molecular Weight:
238.3275
IUPAC Name:
1,3,5-trimethyl-2-phenyl-2H-benzimidazole
InChI:
InChI=1S/C16H18N2/c1-12-9-10-14-15(11-12)18(3)16(17(14)2)13-7-5-4-6-8-13/h4-11,16H,1-3H3
InChI Key:
KMPQFVKYOGQWQL-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)N(C)C(N2C)c1ccccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.334g/mol
Monoisotopic Mass:
238.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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