2-(1,2,3,4-Tetrahydronaphthalen-1-yl)-1H-imidazole - CAS 945389-41-3

Catalog:	BB057572
Product Name:	2-(1,2,3,4-Tetrahydronaphthalen-1-yl)-1H-imidazole
CAS:	945389-41-3
Synonyms:	2-(1,2,3,4-Tetrahydro-1-naphthalenyl)-1H-imidazole

Technical Data

IUPAC Name:	2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
Description:	2-(1,2,3,4-Tetrahydronaphthalen-1-yl)-1H-imidazole is a novel 2-imidazole derivative with potent and selective a1A adrenoceptor partial agonists.
Molecular Weight:	198.26
Molecular Formula:	C13H14N2
Canonical SMILES:	C1CC(C2=CC=CC=C2C1)C3=NC=CN3
InChI:	InChI=1S/C13H14N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,8-9,12H,3,5,7H2,(H,14,15)
InChI Key:	BLXFHJKHZWXNDP-UHFFFAOYSA-N
Melting Point:	167-169°C
Solubility:	Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance:	White to Pale Beige Solid
Storage:	4°C
References:	Whitlock, G.A., et al. Bioorg. Med. Chem. Lett., 18, 2930 (2008).

Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.115698455
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	198.115698455
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.7Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7