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100672-38-6 | 1H-Benzimidazole, 2,3-dihydro-1,3-dimethyl-2-(4-methylphenyl)-
CAS No: 100672-38-6 Catalog No: AG0002MA MDL No:
Product Description
Catalog Number:
AG0002MA
Chemical Name:
1H-Benzimidazole, 2,3-dihydro-1,3-dimethyl-2-(4-methylphenyl)-
CAS Number:
100672-38-6
Molecular Formula:
C16H18N2
Molecular Weight:
238.3275
IUPAC Name:
1,3-dimethyl-2-(4-methylphenyl)-2H-benzimidazole
InChI:
InChI=1S/C16H18N2/c1-12-8-10-13(11-9-12)16-17(2)14-6-4-5-7-15(14)18(16)3/h4-11,16H,1-3H3
InChI Key:
BJTPKLTYKWOWPY-UHFFFAOYSA-N
SMILES:
CN1C(c2ccc(cc2)C)N(c2c1cccc2)C
Properties
Complexity:
265
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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