CAS 161922-05-0 1-(pyridin-3-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one (HCID 20089213)

基本情報

CAS: 161922-05-0
標準SMILES: O=c1[nH]c2ccccc2n1-c1cccnc1
InChIKey: PVHFMWYEVYEBCX-UHFFFAOYSA-N
分子式: C12H9N3O
平均分子量: 211.22 g/mol

名称と識別子

優先名称: 1-(pyridin-3-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
IUPAC: 3-pyridin-3-yl-1H-benzimidazol-2-one

名称と別名

161922-05-01-(pyridin-3-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-oneRefChem:428542847-649-31-(Pyridin-3-yl)-1H-benzo[d]imidazol-2(3H)-one3-pyridin-3-yl-1H-benzimidazol-2-one1-(pyridin-3-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-oneSCHEMBL1238432SCHEMBL30257855PVHFMWYEVYEBCX-UHFFFAOYSA-NLGA92205AKOS022178585

名称をさらに表示

EN300-7462761-(Pyridin-3-yl)-1,3-dihydrobenzimidazole-2-one1-(pyridin-3-yl)-2,3-dihydrobenzoimidazol-2-one2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-pyridinyl)-

データベース識別子

CAS: 161922-05-0
PubChem CID: 20089213
EC Number: 847-649-3

物性

構造計算による物性

XLogP: 1.2
極性表面積: 45.2 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 281

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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