1-Benzyl-4-Iodo-Imidazole - CAS 536760-32-4

Catalog:	BB028319
Product Name:	1-Benzyl-4-Iodo-Imidazole
CAS:	536760-32-4
Synonyms:	1-benzyl-4-iodo-1H-imidazole

Technical Data

Patents

Computed Properties

IUPAC Name:	1-benzyl-4-iodoimidazole
Description:	1-Benzyl-4-Iodo-Imidazole (CAS# 536760-32-4) is a useful research chemical.
Molecular Weight:	284.1
Molecular Formula:	C10H9IN2
Canonical SMILES:	C1=CC=C(C=C1)CN2C=C(N=C2)I
InChI:	InChI=1S/C10H9IN2/c11-10-7-13(8-12-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChI Key:	JJPHXVZRZPAFBC-UHFFFAOYSA-N
Boiling Point:	388.4 °C at 760 mmHg
Density:	1.67 g/cm³
LogP:	2.53600

Publication Number	Title	Priority Date
US-2020407327-A1	Tead inhibitors and uses thereof	20190531
WO-2020243415-A2	Tead inhibitors and uses thereof	20190531
WO-2019185631-A1	4â€"(1hâ€" imidazolâ€" 5â€" yl) -1h-pyrrolo [2, 3-b] pyridines for use in the treatment of leukaemias, lymphomas and solid tumors	20180329
CN-111936496-A	Use of 4- (1H-imidazol-5-yl) -1H-pyrrolo [2,3-B ] pyridine for the treatment of leukemias, lymphomas and solid tumors	20180329
KR-20200116137-A	4-(1H-imidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine for use in the treatment of leukemia, lymphoma and solid tumors	20180329

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Related Functional Groups

Imidazoles

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ethyl 5-chloro-1H-imidazole-4-carboxylate
[50700-55-5]
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[39070-14-9]
1-Methyl-2-nitro-1H-imidazole-5-methanol
[25023-24-9]
Methyl (2-methyl-4-nitro-1H-imidazol-1-yl)acetate

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Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	283.98105
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	283.98105
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3