2-[4-(2-Butylbenzimidazol-1-yl)methylphenyl]benzoic acid

HCID 4110026

기본 정보

표준 SMILES
CCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIKey
TVNBFJNQCWCHHE-UHFFFAOYSA-N
분자식
C25H24N2O2
평균 분자량
384.5 g/mol
단동위원소 질량
384.18377801

이름 및 식별자

우선 이름
2-[4-(2-Butylbenzimidazol-1-yl)methylphenyl]benzoic acid
IUPAC
2-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid

이름 및 동의어

CHEMBL7632AQ-405/42300506SCHEMBL7021447TVNBFJNQCWCHHE-UHFFFAOYSA-NBDBM50005347L0043672-[4-(2-Butylbenzimidazol-1-yl)methylphenyl]benzoic acid2-butyl-1-[(2'-carboxy-biphenyl-4-yl)methyl]benzimidazole2-butyl-1-[(2'-carboxybiphenyl-4-yl)methyl]benzimidazole2-butyl-l-[(2'-carboxybiphenyl-4-yl)methyl]benzimidazole4''-(2-Butyl-benzoimidazol-1-ylmethyl)-biphenyl-2-carboxylic acid4''-((2-butyl-1H-benzo[d]imidazol-1-yl)methyl)biphenyl-2-carboxylic acid
이름 더 보기
4''-(2-Butyl-benzoimidazol-1-ylmethyl)-biphenyl-2-carboxylic acid;0.25H2O4'-[(2-butyl-1H-benzimidazol-1-yl)methyl]biphenyl-2-carboxylic acid4'-[(2-n-Butyl-benzimidazol-1-yl)-methyl]biphenyl-2-carboxylic acid4'-[(2-butyl-1H-benzimidazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylic acid

데이터베이스 식별자

PubChem CID
4110026
ChEMBL
CHEMBL7632
Nikkaji
J464.259G

물성

구조 계산 물성

XLogP
5.9
극성 표면적
55.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
7
무거운 원자 수
29

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20건

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