200,000+ products from a single source!

sales@angenechem.com

Home > Imidazoles > 56643-85-7

56643-85-7

56643-85-7 | 4-(1H-Imidazol-1-ylmethyl)aniline

CAS No: 56643-85-7 Catalog No: AG00EATO MDL No:MFCD06660785

Product Description

Catalog Number:
AG00EATO
Chemical Name:
4-(1H-Imidazol-1-ylmethyl)aniline
CAS Number:
56643-85-7
Molecular Formula:
C10H11N3
Molecular Weight:
173.2144
MDL Number:
MFCD06660785
IUPAC Name:
4-(imidazol-1-ylmethyl)aniline
InChI:
InChI=1S/C10H11N3/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7,11H2
InChI Key:
DGHAOTHIDTUSJY-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cn1cncc1

Properties

Complexity:
152  
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 and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2). Journal of medicinal chemistry 20100225

© 2019 Angene International Limited. All rights Reserved.