기본 정보
- CAS
1146340-38-6- 표준 SMILES
CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)OC1(C)C- InChIKey
PEYQCEFPKMIOFP-UHFFFAOYSA-N- 분자식
- C25H25BN2O2
- 평균 분자량
- 396.3 g/mol
- 단동위원소 질량
- 396.2009082
이름 및 식별자
- 우선 이름
- 1-phenyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-benzo[d]imidazole
- IUPAC
- 1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
- 영어명
- 1 -phenyl-2-(4-(4,4,5,5-tetramethyl- 1 ,3,2-dioxaborolan-2-yl)phenyl)-1H-benzo[d]imidazole
- 분자식
- C25H25BN2O2
- 분자량
- 396.29
이름 및 동의어
1146340-38-61-phenyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-benzo[d]imidazole1-Phenyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-benzo[d ]imidazole1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl]-1H-benzimidazole1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazoleSCHEMBL348317SCHEMBL296027101 -phenyl-2-(4-(4,4,5,5-tetramethyl- 1 ,3,2-dioxaborolan-2-yl)phenyl)-1H-benzo[d]imidazoleDA-47765CS-0356870G86165F749682
이름 더 보기
4 - (N-phenylbenzimidazole) phenylborate1-phenyl-2-(4-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)phenyl)-1H-1-Phenyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-benzimidazole1H-Benzimidazole, 1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-Phenylacetyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxin-2-yl)phenyl)-1H-benzoazole[D]Imidazole
1-Phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-benzimidazole1-phenyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H -benzo[d]imidazole
데이터베이스 식별자
- CAS
1146340-38-6- PubChem CID
- 59629070
물성
구조 계산 물성
- 극성 표면적
- 36.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 582
물리화학적 성질
- 끓는 점
- 564 · 564.0±52.0 °C(Predicted)
- 밀도
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.95 · 3.95±0.10(Predicted)
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