6-Bromo-1-isopropyl-2-methyl-1H-benzimidazole - CAS 1038408-36-4

Catalog:	BB001233
Product Name:	6-Bromo-1-isopropyl-2-methyl-1H-benzimidazole
CAS:	1038408-36-4
Synonyms:	6-bromo-2-methyl-1-propan-2-ylbenzimidazole; 6-bromo-2-methyl-1-propan-2-ylbenzimidazole

Technical Data

Patents

Computed Properties

IUPAC Name:	6-bromo-2-methyl-1-propan-2-ylbenzimidazole
Description:	6-Bromo-1-isopropyl-2-methyl-1H-benzimidazole (CAS# 1038408-36-4) is used in preparation of Amino Pyrimidine compound for inhibiting protein Tyrosine kinase activity.
Molecular Weight:	253.14
Molecular Formula:	C11H13BrN2
Canonical SMILES:	CC1=NC2=C(N1C(C)C)C=C(C=C2)Br
InChI:	InChI=1S/C11H13BrN2/c1-7(2)14-8(3)13-10-5-4-9(12)6-11(10)14/h4-7H,1-3H3
InChI Key:	MKUUBENODRVHTB-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	3.68810

Publication Number	Title	Priority Date
CN-111377907-A	Polysubstituted phenylamino pyrimidine derivative and preparation method and application thereof	20181226
WO-2020135507-A1	Polysubstituted anilinopyrimidine derivative and preparation method and application thereof	20181226
EP-3492462-A1	Amino pyrimidine compound for inhibiting protein tyrosine kinase activity	20160726
JP-2019522011-A	Aminopyrimidine compounds for inhibiting the activity of protein tyrosine kinases	20160726
US-2019152954-A1	Amino pyrimidine compound for inhibiting protein tyrosine kinase activity	20160726

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Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.02621
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	252.02621
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2