(2,3-Dimethylphenyl)(4-imidazolyl)methanone - CAS 91874-85-0

Name: (2,3-Dimethylphenyl)(4-imidazolyl)methanone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB040371
Product Name:	(2,3-Dimethylphenyl)(4-imidazolyl)methanone
CAS:	91874-85-0
Synonyms:	(2,3-Dimethylphenyl)(1H-imidazol-4-yl)methanone; 4-(2',3'-Dimethylbenzoyl)imidazole; Methanone, (2,3-dimethylphenyl)-1H-imidazol-4-yl-

Technical Data

IUPAC Name:	(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methanone
Description:	(2,3-Dimethylphenyl)(4-imidazolyl)methanone is a remarkably powerful compound harnessed in studying diverse ailments such as cancer, inflammation and infectious diseases.
Molecular Weight:	200.24
Molecular Formula:	C12H12N2O
Canonical SMILES:	CC1=CC=CC(=C1C)C(=O)C2=CN=CN2
InChI:	InChI=1S/C12H12N2O/c1-8-4-3-5-10(9(8)2)12(15)11-6-13-7-14-11/h3-7H,1-2H3,(H,13,14)
InChI Key:	RXMJMOMMINVJMY-UHFFFAOYSA-N
Boiling Point:	412.7±33.0°C (Predicted)
Melting Point:	195-197°C
Purity:	>95%
Density:	1.166±0.06 g/cm3 (Predicted)
Solubility:	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance:	White to Pale Brown Solid
Storage:	Store at 2-8°C
LogP:	2.25750

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Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.094963011
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.094963011
Rotatable Bond Count:	2
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5