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153402-03-0 | 1H-Benzimidazole, 2-methyl-1-[(4-methylphenyl)methyl]-
CAS No: 153402-03-0 Catalog No: AG007I92 MDL No:MFCD00838030
Product Description
Catalog Number:
AG007I92
Chemical Name:
1H-Benzimidazole, 2-methyl-1-[(4-methylphenyl)methyl]-
CAS Number:
153402-03-0
Molecular Formula:
C16H16N2
Molecular Weight:
236.3116
MDL Number:
MFCD00838030
IUPAC Name:
2-methyl-1-[(4-methylphenyl)methyl]benzimidazole
InChI:
InChI=1S/C16H16N2/c1-12-7-9-14(10-8-12)11-18-13(2)17-15-5-3-4-6-16(15)18/h3-10H,11H2,1-2H3
InChI Key:
TWYWUFRUVNPKCK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Cn1c(C)nc2c1cccc2
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.318g/mol
Monoisotopic Mass:
236.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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