4-{1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-1H-benzimidazol-2-yl}-1-(2-fluorophenyl)pyrrolidin-2-one
기본 정보
- CAS
1018125-44-4- 표준 SMILES
Cc1cc(OCC(O)Cn2c(C3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)ccc1Cl- InChIKey
OASAXHPTHXIKKO-UHFFFAOYSA-N- 분자식
- C27H25ClFN3O3
- 평균 분자량
- 494 g/mol
- 단동위원소 질량
- 493.1568475
이름 및 식별자
- 우선 이름
- 4-{1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-1H-benzimidazol-2-yl}-1-(2-fluorophenyl)pyrrolidin-2-one
- IUPAC
- 4-[1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(2-fluorophenyl)pyrrolidin-2-one
이름 및 동의어
1018125-44-44-{1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-1H-benzimidazol-2-yl}-1-(2-fluorophenyl)pyrrolidin-2-one4-[1-[3-(4-Chloro-3-methylphenoxy)-2-hydroxypropyl]-1H-benzimidazol-2-yl]-1-(2-fluorophenyl)-2-pyrrolidinone4-[1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(2-fluorophenyl)pyrrolidin-2-one4-{1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl}-1-(2-flu orophenyl)pyrrolidin-2-one4-(1-(3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl)-1H-benzo[d]imidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-oneDTXSID001109172MFCD12548192SBB045646STK825021AKOS000271570AKOS016041389
이름 더 보기
ZINC000016902773ZINC000016902780ST50799973F3366-55994(1(3(4chloro3methylphenoxy)2hydroxypropyl)1Hbenzimidazol2yl)1(2fluorophenyl)pyrrolidin2oneCC1=C(C=CC(=C1)OCC(CN2C3=CC=CC=C3N=C2C4CC(=O)N(C4)C5=CC=CC=C5F)O)Cl4(1(3(4CHLORO3METHYLPHENOXY)2HYDROXYPROPYL)1HBENZO(D)IMIDAZOL2YL)1(2FLUOROPHENYL)PYRROLIDIN2ONE4(1(3(4CHLORO3METHYLPHENOXY)2HYDROXYPROPYL)BENZIMIDAZOL2YL)1(2FLUOROPHENYL)PYRROLIDIN2ONE
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 67.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 732
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