6'-Chloro-4-[2-hydroxy-2-(1-methyl-1H-benzoimidazol-2-yl)-ethylamino]-4'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrile

HCID 21928159
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cn1c(C(O)CNC2CCN(c3cc(C(F)(F)F)c(C#N)c(Cl)n3)CC2)nc2ccccc21
InChIKey
VBEGAEGBVTXPJJ-UHFFFAOYSA-N
분자식
C22H22ClF3N6O
평균 분자량
478.9 g/mol

이름 및 식별자

우선 이름
6'-Chloro-4-[2-hydroxy-2-(1-methyl-1H-benzoimidazol-2-yl)-ethylamino]-4'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrile
IUPAC
2-chloro-6-[4-[[2-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile

이름 및 동의어

6'-Chloro-4-[2-hydroxy-2-(1-methyl-1H-benzoimidazol-2-yl)-ethylamino]-4'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrileSCHEMBL49189306'-chloro4-[2-hydroxy-2-(1-methyl-1H-benzoimidazol-2-yl)-ethylamino]-4'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrile6'-chloro4-[2-hydroxy-2-(1-methyl-1H-benzoimidazol-2-yl)-ethylamino]4'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrile

데이터베이스 식별자

PubChem CID
21928159

물성

구조 계산 물성

XLogP
3.4
극성 표면적
90 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
9
회전 가능 결합 수
5
무거운 원자 수
33

관련 반응

3건
반응 기록 만들기

화합물 노트

불러오는 중…