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Home > Imidazoles > 41833-17-4
41833-17-4 | 1-(4-hydroxybenzyl)imidazole
CAS No: 41833-17-4 Catalog No: AG00CYMW MDL No:MFCD23103189
Product Description
Catalog Number:
AG00CYMW
Chemical Name:
1-(4-hydroxybenzyl)imidazole
CAS Number:
41833-17-4
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD23103189
IUPAC Name:
4-(imidazol-1-ylmethyl)phenol
InChI:
InChI=1S/C10H10N2O/c13-10-3-1-9(2-4-10)7-12-6-5-11-8-12/h1-6,8,13H,7H2
InChI Key:
ZEFROCQEWXHIEP-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Cn1cncc1
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and biochemical evaluation of a range of (4-substituted phenyl)sulfonate derivatives of 4-hydroxybenzyl imidazole-based compounds as potent inhibitors of 17alpha-hydroxylase/17,20-lyase (P45017alpha) derived from rat testicular microsomes. | Bioorganic & medicinal chemistry letters 20100901 |
| Synthesis and biochemical evaluation of a range of potent benzyl imidazole-based compounds as potential inhibitors of the enzyme complex 17alpha-hydroxylase/17,20-lyase (P450(17alpha)). | Bioorganic & medicinal chemistry letters 20060801 |
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