기본 정보
- CAS
177660-54-7- 표준 SMILES
Cc1cn(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)n1- InChIKey
RIZFWOPNUQFLEF-UHFFFAOYSA-N- 분자식
- C17H15ClN2O2S
- 평균 분자량
- 346.8 g/mol
- 단동위원소 질량
- 346.0542764
이름 및 식별자
- 우선 이름
- 2-(4-Chlorophenyl)-4-methyl-1-(4-(methylsulfonyl)phenyl)-1H-imidazole
- IUPAC
- 2-(4-chlorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)imidazole
이름 및 동의어
CHEMBL46761177660-54-72-(4-chlorophenyl)-1-(4-(methylsulfonyl)phenyl]-4-methyl-1H-imidazole2-(4-chlorophenyl)-1-[4-(methylsulfonyl)phenyl]-4-methyl-1H-imidazoleSCHEMBL212832DTXSID70433205RIZFWOPNUQFLEF-UHFFFAOYSA-N2-(4-chlorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)imidazoleBDBM50057932NSC7400312-(4-Chlorophenyl)-4-methyl-1-(4-(methylsulfonyl)phenyl)-1H-imidazoleNSC-740031
이름 더 보기
2-(4-Chloro-phenyl)-1-(4-methanesulfonyl-phenyl)-4-methyl-1H-imidazole2-(4-Chlorophenyl)-1-[4-(methanesulfonyl)phenyl]-4-methyl-1H-imidazole2-(4-chlorophenyl)-4-methyl-1-(4-(methylsulfonyl)phenyl)-1H- imidazole
데이터베이스 식별자
- CAS
177660-54-7- PubChem CID
- 9946200
- DTXSID
DTXSID70433205- ChEMBL
CHEMBL46761- Nikkaji
- J2.287.985E
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 60.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 491
관련 반응
3건
화합물 노트
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