5-Benzyl-1H-imidazole - CAS 4238-72-6
Catalog: |
BB061743 |
Product Name: |
5-Benzyl-1H-imidazole |
CAS: |
4238-72-6 |
Synonyms: |
5-(Phenylmethyl)-1H-imidazole; 4-Benzyl-1H-imidazole; Imidazole, 4(or 5)-benzyl- |
IUPAC Name: | 5-benzyl-1H-imidazole |
Description: | 5-Benzyl-1H-imidazole (cas# 4238-72-6) is a useful research chemical. |
Molecular Weight: | 158.2 |
Molecular Formula: | C10H10N2 |
Canonical SMILES: | C1=CC=C(C=C1)CC2=CN=CN2 |
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 |
Melting Point: | 85 - 86o C |
Solubility: | Chloroform (Slightly), DMSO (Slightly) Methanol (Slightly) |
Appearance: | Light Brown Solid |
Storage: | -20°C, Hygroscopic |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22795332 | 20120815 | Optimisation of imidazole compounds as selective TAAR1 agonists: discovery of RO5073012 | Bioorganic & medicinal chemistry letters |
18433114 | 20080522 | 4-benzyl-1H-imidazoles with oxazoline termini as histamine H3 receptor agonists | Journal of medicinal chemistry |
11958998 | 20020325 | 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 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.084398327 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 28.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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