1-(2'-Cyanobiphenyl-4-yl)methyl-4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylic acid
기본 정보
- 표준 SMILES
CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2C#N)cc1- InChIKey
XSEFXWZKOIIDML-UHFFFAOYSA-N- 분자식
- C24H25N3O3
- 평균 분자량
- 403.5 g/mol
- 단동위원소 질량
- 403.18959167
이름 및 식별자
- 우선 이름
- 1-(2'-Cyanobiphenyl-4-yl)methyl-4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylic acid
- IUPAC
- 3-[[4-(2-cyanophenyl)phenyl]methyl]-5-(2-hydroxypropan-2-yl)-2-propylimidazole-4-carboxylic acid
이름 및 동의어
1-((2'-Cyano-[1,1'-biphenyl]-4-yl)methyl)-4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylic acid1199807-52-7starbld0008737SCHEMBL2578611XSEFXWZKOIIDML-UHFFFAOYSA-N1-(2'-cyanobiphenyl-4-yl)methyl -4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylic acid1-(2'-cyanobiphenyl-4-yl)methyl -4-(1-hydroxy-l-methylethyl)-2-propylimidazole-5-carboxylic acid1-(2'-cyanobiphenyl-4-yl)methyl-4-(1-hydroxy-1-methylethyl) -2-propylimidazole-5-carboxylic acid1-(2'-cyanobiphenyl-4-yl)methyl-4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylic acid
데이터베이스 식별자
- PubChem CID
- 19349141
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 99.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 635
관련 반응
6건
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