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89114-15-8 | 1H-Benzimidazole, 5-methyl-2-(2,4,6-trimethylphenyl)-
CAS No: 89114-15-8 Catalog No: AG003ZR3 MDL No:
Product Description
Catalog Number:
AG003ZR3
Chemical Name:
1H-Benzimidazole, 5-methyl-2-(2,4,6-trimethylphenyl)-
CAS Number:
89114-15-8
Molecular Formula:
C17H18N2
Molecular Weight:
250.3382
IUPAC Name:
6-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
InChI:
InChI=1S/C17H18N2/c1-10-5-6-14-15(9-10)19-17(18-14)16-12(3)7-11(2)8-13(16)4/h5-9H,1-4H3,(H,18,19)
InChI Key:
JTYAMGBHUWHCIT-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)c1[nH]c2c(n1)cc(cc2)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.345g/mol
Monoisotopic Mass:
250.147g/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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