2-(4-Nitrophenyl)imidazole - CAS 1614-06-8

Catalog:	BB011742
Product Name:	2-(4-Nitrophenyl)imidazole
CAS:	1614-06-8
Synonyms:	2-(4-nitrophenyl)-1H-imidazole; 2-(4-nitrophenyl)-1H-imidazole

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Computed Properties

IUPAC Name:	2-(4-nitrophenyl)-1H-imidazole
Description:	2-(4-Nitrophenyl)imidazole (CAS# 1614-06-8) is a useful research chemical.
Molecular Weight:	189.17
Molecular Formula:	C9H7N3O2
Canonical SMILES:	C1=CC(=CC=C1C2=NC=CN2)[N+](=O)[O-]
InChI:	InChI=1S/C9H7N3O2/c13-12(14)8-3-1-7(2-4-8)9-10-5-6-11-9/h1-6H,(H,10,11)
InChI Key:	GJKIAPNNPWBCOF-UHFFFAOYSA-N
MDL:	MFCD08668825
LogP:	2.50810

Publication Number	Title	Priority Date
WO-2021088265-A1	Imidazo pyridine compound, pharmaceutical composition containing the compound, preparation method therefor, and use thereof	20191105
TW-201815395-A	Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies	20161027
JP-6803907-B2	New condensed pyrimidinone and triadinone derivatives, their preparation methods, and their therapeutic use as antifungal and / or antiparasitic agents	20150731
EP-3204009-A1	Heparan sulfate biosynthesis inhibitors for the treatment of diseases	20141009
JP-2017530991-A	Inhibition of heparan sulfate biosynthesis to treat disease	20141009

PMID	Publication Date	Title	Journal
18851889	20090601	Synthesis, antimicrobial and antiviral evaluation of substituted imidazole derivatives	European journal of medicinal chemistry

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Related Functional Groups

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[64038-58-0]
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[1692391-54-0]
Ethyl 1-propyl-1H-imidazole-2-carboxylate
[53525-60-3]
Ethyl 1-trityl-1H-imidazole-4-carboxylate

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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:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.053826475
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.053826475
Rotatable Bond Count:	1
Topological Polar Surface Area:	74.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7