4,5-Diphenyl-2-methylimidazole

HCID 236696

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 2818-82-8
標準SMILES: Cc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIKey: WBDSXISQIHMTGL-UHFFFAOYSA-N
分子式: C16H14N2
平均分子量: 234.29 g/mol
単同位体質量: 234.11569845

名称と識別子

優先名称: 4,5-Diphenyl-2-methylimidazole
IUPAC: 2-methyl-4,5-diphenyl-1H-imidazole
英語名: 1H-Imidazole,2-methyl-4,5-diphenyl-
分子式: C16H14N2
分子量: 234.3

名称と別名

4,5-DIPHENYL-2-METHYLIMIDAZOLERefChem:507870654-146-02-Methyl-4,5-diphenyl-1H-imidazole2818-82-81H-Imidazole,2-methyl-4,5-diphenyl-2-methyl-4,5-diphenylimidazoleNSC39454ChemDiv2_003613Oprea1_435428Oprea1_514794MLS000526569

名称をさらに表示

CHEMBL225270SCHEMBL1068923SCHEMBL11088342SCHEMBL11514577DTXSID70284870WBDSXISQIHMTGL-UHFFFAOYSA-NHMS1379E05HMS2155D07

データベース識別子

CAS: 2818-82-8
PubChem CID: 236696
DTXSID: DTXSID70284870
ChEMBL: CHEMBL225270
EC Number: 654-146-0
Nikkaji: J1.299.388I

物性

構造計算による物性

XLogP: 3.8
極性表面積: 28.7 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 254

実験および物理化学的性質

SpringerMaterials PropertiesDiamagnetic susceptibility

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.