1H-Benzimidazole, 2-[[[4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethyl-2-pyridinyl]methyl]thio]-

HCID 24880780

기본 정보

표준 SMILES
Cc1cnc(CSc2nc3ccccc3[nH]2)c(C)c1OCC1COC(C)(C)OC1
InChIKey
PDJFCIIMPPXKEZ-UHFFFAOYSA-N
분자식
C22H27N3O3S
평균 분자량
413.5 g/mol

이름 및 식별자

우선 이름
1H-Benzimidazole, 2-[[[4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethyl-2-pyridinyl]methyl]thio]-
IUPAC
2-[[4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole

이름 및 동의어

1H-Benzimidazole, 2-[[[4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethyl-2-pyridinyl]methyl]thio]-913696-27-22-(((4-((2,2-dimethyl-1,3-dioxan-5-yl)methoxy)-3,5-dimethylpyridin-2-yl)methyl)thio)-1H-benzimidazole2-(((4-(2,2-dimethyl-1,3-dioxan-5-yl)methoxy-3,5-dimethylpyridin-2-yl)methyl)thio)-1H-benzimidazole2-({[4-(2,2-dimethyl-1,3-dioxan-5-yl)methoxy-3,5-dimethylpyridin-2-yl]methyl}thio)-1H-benzimidazole2-[[[4-[(2,2-Dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylpyridin-2-yl]methyl]thio]-1H-benzimidazoleanalog of E-3710SCHEMBL710578PDJFCIIMPPXKEZ-UHFFFAOYSA-N

데이터베이스 식별자

PubChem CID
24880780
Nikkaji
J2.629.187I

물성

구조 계산 물성

XLogP
3.9
극성 표면적
94.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
29

관련 반응

23건

화합물 노트

불러오는 중…

1H-Benzimidazole, 2-[[[4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethyl-2-pyridinyl]methyl]thio]- (HCID 24880780)|Huagongshe