(2,3-Dimethylphenyl)(1H-imidazol-5-yl)methanol - CAS 78892-33-8

Catalog:	BB067321
Product Name:	(2,3-Dimethylphenyl)(1H-imidazol-5-yl)methanol
CAS:	78892-33-8
Synonyms:	α-(2,3-Dimethylphenyl)-1H-imidazole-5-methanol; (2,3-Dimethylphenyl)(1H-imidazol-4-yl)methanol; (2,3-Dimethylphenyl)(1H-imidazol-5-yl)methanol

Technical Data

IUPAC Name:	(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methanol
Description:	(2,3-Dimethylphenyl)(1H-imidazol-5-yl)methanol is an impurity of Detomidine (D297970) which is an α-Adrenoceptor agonist with sedative and analgesic activity.
Molecular Weight:	202.25
Molecular Formula:	C12H14N2O
Canonical SMILES:	CC1=C(C(=CC=C1)C(C2=CN=CN2)O)C
InChI:	InChI=1S/C12H14N2O/c1-8-4-3-5-10(9(8)2)12(15)11-6-13-7-14-11/h3-7,12,15H,1-2H3,(H,13,14)
InChI Key:	PRCKVXIQIZUDDK-UHFFFAOYSA-N
References:	Laine, E., Acta Pharm. Suec., 20, 451 (1983); Virtanen, R., et al. Eur. J. Pharmacol., 108, 163 (1985).

Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.110613074
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	202.110613074
Rotatable Bond Count:	2
Topological Polar Surface Area:	48.9Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6