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Home Other Building Blocks 4-benzyl-1H-imidazole

4-benzyl-1H-imidazole

CAS No.:
4238-72-6
Catalog Number:
AG01A6IH
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
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Product Description
Catalog Number:
AG01A6IH
Chemical Name:
4-benzyl-1H-imidazole
CAS Number:
4238-72-6
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
MDL Number:
MFCD20488851
IUPAC Name:
5-benzyl-1H-imidazole
InChI:
InChI=1S/C10H10N2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-5,7-8H,6H2,(H,11,12)
InChI Key:
HREUGOAZLRNTEM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cc1c[nH]cn1
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.204g/mol
Monoisotopic Mass:
158.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Optimisation of imidazole compounds as selective TAAR1 agonists: discovery of RO5073012. Bioorganic & medicinal chemistry letters 20120815
4-benzyl-1H-imidazoles with oxazoline termini as histamine H3 receptor agonists. Journal of medicinal chemistry 20080522
Identification of a novel, orally bioavailable histamine H(3) receptor antagonist based on the 4-benzyl-(1H-imidazol-4-yl) template. Bioorganic & medicinal chemistry letters 20020325
Properties