5-Methoxy-2-methylbenzimidazole - CAS 4887-81-4

Catalog:	BB026607
Product Name:	5-Methoxy-2-methylbenzimidazole
CAS:	4887-81-4
Synonyms:	6-methoxy-2-methyl-1H-benzimidazole; 6-methoxy-2-methyl-1H-benzimidazole

Technical Data

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Computed Properties

IUPAC Name:	6-methoxy-2-methyl-1H-benzimidazole
Description:	5-Methoxy-2-methylbenzimidazole (CAS# 4887-81-4) is a useful research chemical compound.
Molecular Weight:	162.19
Molecular Formula:	C9H10N2O
Canonical SMILES:	CC1=NC2=C(N1)C=C(C=C2)OC
InChI:	InChI=1S/C9H10N2O/c1-6-10-8-4-3-7(12-2)5-9(8)11-6/h3-5H,1-2H3,(H,10,11)
InChI Key:	KNQUHMCADKEUNP-UHFFFAOYSA-N
Boiling Point:	375.6 °C at 760 mmHg
Density:	1.198 g/cm³
MDL:	MFCD00767455
LogP:	1.87990

Publication Number	Title	Priority Date
WO-2021203016-A2	Protein-protein interaction stabilizers	20200403
CN-110305064-A	Sulphonyl azole compounds of ethoxy bridging and its preparation method and application	20190731
US-2020369656-A1	Inhibitors of camkk2 and uses of same	20190524
EP-3197277-A1	Probes for imaging huntingtin protein	20140829
KR-20170047303-A	Probes for imaging huntingtin protein	20140829

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.079312947
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	162.079312947
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1