기본 정보
- CAS
305333-09-9- 표준 SMILES
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C2CCCCC2)CC1- InChIKey
HWZHPCCSSYEKDC-UHFFFAOYSA-N- 분자식
- C25H31N5
- 평균 분자량
- 401.5 g/mol
- 단동위원소 질량
- 401.25794601
이름 및 식별자
- 우선 이름
- 1-(4-Cyclohexylpiperazin-1-yl)-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 1-(4-cyclohexylpiperazin-1-yl)-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- 영어명
- 1-(4-cyclohexylpiperazin-1-yl)-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- 분자식
- C25H31N5
- 분자량
- 401.55
이름 및 동의어
1-(4-cyclohexylpiperazin-1-yl)-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile305333-09-9ZINC6713470Oprea1_088648Oprea1_104071MFCD01066713STK102047AKOS000545950ZINC000006713470ST50236824AF-399/36980066SR-01000433939
이름 더 보기
1(4-CYCLOHEXYL-1-PIPERAZINYL)2-ET-3-ME-PYRIDO(1,2-A)BENZIMIDAZOLE-4-CARBONITRILEPyrido[1,2-a]benzimidazole-4-carbonitrile, 1-(4-cyclohexyl-1-piperazinyl)-2-ethyl-3-methyl-
SR-01000433939-1CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C5CCCCC51(4cyclohexylpiperazin1yl)2ethyl3methylbenzo(45)imidazo(12a)pyridine4carbonitrile1(4CYCLOHEXYLPIPERAZIN1YL)2ETHYL3METHYLPYRIDO(12A)BENZIMIDAZOLE4CARBONITRILE1-(4-cyclohexyl-1-piperazinyl)-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile4(4CYCLOHEXYLPIPERAZINYL)3ETHYL2METHYL5HYDROPYRIDINO(12A)BENZIMIDAZOLECARBONITRILE1-(4-cyclohexylpiperazin-1-yl)-2-ethyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile4-(4-cyclohexylpiperazinyl)-3-ethyl-2-methyl-5-hydropyridino[1,2-a]benzimidazo lecarbonitrile
데이터베이스 식별자
- CAS
305333-09-9
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 47.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 629
화학 및 산업
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