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120107-85-9 | Benzenamine, 3-(1H-imidazol-1-ylmethyl)-
CAS No: 120107-85-9 Catalog No: AG000QCH MDL No:MFCD07801129
Product Description
Catalog Number:
AG000QCH
Chemical Name:
Benzenamine, 3-(1H-imidazol-1-ylmethyl)-
CAS Number:
120107-85-9
Molecular Formula:
C10H11N3
Molecular Weight:
173.2144
MDL Number:
MFCD07801129
IUPAC Name:
3-(imidazol-1-ylmethyl)aniline
InChI:
InChI=1S/C10H11N3/c11-10-3-1-2-9(6-10)7-13-5-4-12-8-13/h1-6,8H,7,11H2
InChI Key:
HOZXQBSHRUITCX-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Cn1cncc1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.219g/mol
Monoisotopic Mass:
173.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2). | Journal of medicinal chemistry 20100225 |
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