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Home > Imidazoles > 178982-67-7
178982-67-7 | 1H-Imidazole, 5-(1-methylethyl)-2-[(phenylmethoxy)methyl]-
CAS No: 178982-67-7 Catalog No: AG0026N6 MDL No:
Product Description
Catalog Number:
AG0026N6
Chemical Name:
1H-Imidazole, 5-(1-methylethyl)-2-[(phenylmethoxy)methyl]-
CAS Number:
178982-67-7
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
IUPAC Name:
2-(phenylmethoxymethyl)-5-propan-2-yl-1H-imidazole
InChI:
InChI=1S/C14H18N2O/c1-11(2)13-8-15-14(16-13)10-17-9-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,15,16)
InChI Key:
MLXAYWQAGBEISD-UHFFFAOYSA-N
SMILES:
CC(c1cnc([nH]1)COCc1ccccc1)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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