4-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)-2-trifluoromethylbenzonitrile

HCID 11162285

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 143782-20-1
표준 SMILES: CC1(C)NC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O
InChIKey: CYCKLVAQENOQPG-UHFFFAOYSA-N
분자식: C13H10F3N3O2
평균 분자량: 297.23 g/mol
단동위원소 질량: 297.07251122

이름 및 식별자

우선 이름: 4-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)-2-trifluoromethylbenzonitrile
IUPAC: 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
영어명: 4-(4,4-DiMethyl-2,5-dioxoiMidazolidin-1-yl)-2-trifluoroMethylbenzonitrile
분자식: C13H10F3N3O2
분자량: 297.23

이름 및 동의어

143782-20-14-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)-2-trifluoromethylbenzonitrileCyanonilutamide4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile4-(4,4-Dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrileRU-56279Benzonitrile, 4-(4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)-6PAG4TC385CHEMBL146858cyano-nilutamide4-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)-2-trifluoromethylbenzonitrile; RU 56279MFCD19689673

이름 더 보기

185807RU 562794-(4,4-dimethyl-2,5-dioxyimidazolealkane-1-yl)-2-trifluoromethylbenzenemethylnitrile

UNII-6PAG4TC385SCHEMBL629858orb3174685DTXSID901143349GLXC-04032BDBM501359082-(trifluoromethyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile4-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile

데이터베이스 식별자

CAS: 143782-20-1
PubChem CID: 11162285
DTXSID: DTXSID901143349
ChEMBL: CHEMBL146858
UNII: 6PAG4TC385
Nikkaji: J1.523.114I

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 73.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 21
형식 전하: 0
복잡도: 520

물리화학적 성질

밀도: 1.46 · 1.46±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 7.69 · 7.69±0.70(Predicted)

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야 · 1건

용도4-(4,4-Dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile is an intermediate in the synthesis of Oxo-MDV 3100 (Oxo-enzalutamide) (O857800), which is an impurity of Enzalutamide (M199800), which is an androgen-receptor antagonist that blocks androgens from binding to the androgen receptor and prevents nuclear translocation and co-activator recruitment of the ligand-receptor complex. Enzalutamide has been shown to induce tumor cell apoptosis, and is used for the treatment of castration-resistant prostate cancer.