2-[4-(tert-Butyl)phenyl]imidazole - CAS 1225882-59-6

Catalog:	BB005430
Product Name:	2-[4-(tert-Butyl)phenyl]imidazole
CAS:	1225882-59-6
Synonyms:	2-(4-tert-butylphenyl)-1H-imidazole; 2-(4-tert-butylphenyl)-1H-imidazole

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(4-tert-butylphenyl)-1H-imidazole
Description:	2-[4-(tert-Butyl)phenyl]imidazole (CAS# 1225882-59-6 ) is a useful research chemical.
Molecular Weight:	200.28
Molecular Formula:	C13H16N2
Canonical SMILES:	CC(C)(C)C1=CC=C(C=C1)C2=NC=CN2
InChI:	InChI=1S/C13H16N2/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12/h4-9H,1-3H3,(H,14,15)
InChI Key:	DARCFSYZWARYEE-UHFFFAOYSA-N
LogP:	3.37420

Publication Number	Title	Priority Date
US-2020407361-A1	Tricyclic compounds	20190530
US-2017174703-A1	Quinoline derivatives as smo inhibitors	20140324
US-9938292-B2	Quinoline derivatives as SMO inhibitors	20140324
US-2014171456-A1	FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS	20110726
US-8901142-B2	Fused tricyclic compounds as mTOR inhibitors	20110726

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Complexity:	199
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.131348519
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.131348519
Rotatable Bond Count:	2
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6