CAS 4238-72-6 | 4-benzyl-1H-imidazole | CAS Number 4238-72-6

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4238-72-6 | 4-benzyl-1H-imidazole

CAS No: 4238-72-6 Catalog No: AG01A6IH MDL No:MFCD20488851

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

158.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

158.204g/mol

Monoisotopic Mass:

158.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

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