2-[(5,6,7,8-Tetrahydroquinolin-8-ylamino)-methyl]-benzimidazole-1-carboxylic acid tert-butyl ester

HCID 21985081

기본 정보

표준 SMILES
CC(C)(C)OC(=O)n1c(CNC2CCCc3cccnc32)nc2ccccc21
InChIKey
DNTCKJDFHQADBP-UHFFFAOYSA-N
분자식
C22H26N4O2
평균 분자량
378.5 g/mol

이름 및 식별자

우선 이름
2-[(5,6,7,8-Tetrahydroquinolin-8-ylamino)-methyl]-benzimidazole-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 2-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzimidazole-1-carboxylate

이름 및 동의어

SCHEMBL3373812DNTCKJDFHQADBP-UHFFFAOYSA-N(1-tert-butoxycarbonyl-benzimidazol-2-ylmethyl)-(5,6,7,8-tetrahydroquinolin-8-yl)-amine(1-tert-butoxycarbonyl-1H-Benzimidazol-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl) -amine(1-tert-butoxycarbonyl-1H-Benzimidazol-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amine[1-(tert-butoxycarbonyl)-(1H-benzimidazol-2-ylmethyl)]-(5,6,7,8-tetrahydro-quinolin-8-yl)-amine2-[(5,6,7,8-tetrahydro-quinolin-8-ylamino)-methyl]-benzoimidazole-1-carboxylic acid tert-butyl ester2-[(5,6,7,8-tetrahydroquinolin-8-ylamino)-methyl]-benzimidazole-1-carboxylic acid tert-butyl ester

데이터베이스 식별자

PubChem CID
21985081

물성

구조 계산 물성

XLogP
3.4
극성 표면적
69 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
5
무거운 원자 수
28

관련 반응

44건

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