2-(3,4,5-Trimethoxyphenyl)imidazole - CAS 1119531-23-5

Catalog:	BB002835
Product Name:	2-(3,4,5-Trimethoxyphenyl)imidazole
CAS:	1119531-23-5
Synonyms:	2-(3,4,5-trimethoxyphenyl)-1H-imidazole; 2-(3,4,5-trimethoxyphenyl)-1H-imidazole

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(3,4,5-trimethoxyphenyl)-1H-imidazole
Description:	2-(3,4,5-Trimethoxyphenyl)imidazole (CAS# 1119531-23-5 ) is a useful research chemical.
Molecular Weight:	234.25
Molecular Formula:	C12H14N2O3
Canonical SMILES:	COC1=CC(=CC(=C1OC)OC)C2=NC=CN2
InChI:	InChI=1S/C12H14N2O3/c1-15-9-6-8(12-13-4-5-14-12)7-10(16-2)11(9)17-3/h4-7H,1-3H3,(H,13,14)
InChI Key:	MHNRXWRFZQMYSA-UHFFFAOYSA-N
LogP:	2.10250

Publication Number	Title	Priority Date
CN-106699771-A	Cryptotanshinone compound, as well as preparation method and application thereof	20170220
TW-201807093-A	Conductive paste	20160331
AU-2014225761-A1	Compounds for treatment of cancer	20130305
KR-20150123328-A	Compounds for treatment of cancer	20130305
US-10022356-B2	Compounds for treatment of cancer	20130305

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Related Functional Groups

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Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.10044231
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	234.10044231
Rotatable Bond Count:	4
Topological Polar Surface Area:	56.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6