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Home > Imidazoles > 824427-49-8
824427-49-8 | 1H-Benzimidazole, 1-(3,3-dimethylbutyl)-5-methoxy-
CAS No: 824427-49-8 Catalog No: AG005A7H MDL No:
Product Description
Catalog Number:
AG005A7H
Chemical Name:
1H-Benzimidazole, 1-(3,3-dimethylbutyl)-5-methoxy-
CAS Number:
824427-49-8
Molecular Formula:
C14H20N2O
Molecular Weight:
232.3214
IUPAC Name:
1-(3,3-dimethylbutyl)-5-methoxybenzimidazole
InChI:
InChI=1S/C14H20N2O/c1-14(2,3)7-8-16-10-15-12-9-11(17-4)5-6-13(12)16/h5-6,9-10H,7-8H2,1-4H3
InChI Key:
JPMZTFGXCRQUOV-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ncn2CCC(C)(C)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.327g/mol
Monoisotopic Mass:
232.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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