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Home > Imidazoles > 49823-14-5
49823-14-5 | 1-(2-Phenylethyl)-1H-imidazole
CAS No: 49823-14-5 Catalog No: AG00DFBQ MDL No:MFCD11977663
Product Description
Catalog Number:
AG00DFBQ
Chemical Name:
1-(2-Phenylethyl)-1H-imidazole
CAS Number:
49823-14-5
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD11977663
IUPAC Name:
1-(2-phenylethyl)imidazole
InChI:
InChI=1S/C11H12N2/c1-2-4-11(5-3-1)6-8-13-9-7-12-10-13/h1-5,7,9-10H,6,8H2
InChI Key:
SSENHTOBLYRWKU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCn1cncc1
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis, biochemical evaluation and rationalisation of the inhibitory activity of a range of 4-substituted phenyl alkyl imidazole-based inhibitors of the enzyme complex 17alpha-hydroxylase/17,20-lyase (P450(17alpha)). | Bioorganic & medicinal chemistry letters 20060915 |
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