1-[(3,5-Dimethylphenyl)amino]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
기본 정보
- CAS
329708-75-0- 표준 SMILES
CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cc(C)cc(C)c1- InChIKey
OOFRUFJJKBWWOH-UHFFFAOYSA-N- 분자식
- C23H22N4
- 평균 분자량
- 354.4 g/mol
이름 및 식별자
- 우선 이름
- 1-[(3,5-Dimethylphenyl)amino]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 1-(3,5-dimethylanilino)-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- 영어명
- 1-(3,5-dimethylanilino)-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- 분자식
- C23H22N4
- 분자량
- 354.45
이름 및 동의어
1-[(3,5-dimethylphenyl)amino]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrileOprea1_275653Oprea1_699999STK103057STL150712AKOS002169423AKOS0057505831-(3,5-dimethylanilino)-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrileST50749515AG-690/116651161-(3,5-DIMETHYLANILINO)-2-ET-3-METHYLPYRIDO(1,2-A)BENZIMIDAZOLE-4-CARBONITRILE(1E)-1-[(3,5-dimethylphenyl)imino]-2-ethyl-3-methyl-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
이름 더 보기
Pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-[(3,5-dimethylphenyl)amino]-2-ethyl-3-methyl-
1-((3,5-dimethylphenyl)amino)-2-ethyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile4-[(3,5-dimethylphenyl)amino]-3-ethyl-2-methyl-5-hydropyridino[1,2-a]benzimida zolecarbonitrile
데이터베이스 식별자
- CAS
329708-75-0- EC Number
- 138-216-3
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 53.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 558
물리화학적 성질
- 밀도
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.36 · 5.36±0.50(Predicted)
관련 반응
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