2-(1-benzyl-5-methylbenzimidazol-2-yl)quinolin-8-ol

C24H19N3O — CID 172655104

IUPAC2-(1-benzyl-5-methylbenzimidazol-2-yl)quinolin-8-ol
SMILESCc1ccc2c(c1)nc(-c1ccc3cccc(O)c3n1)n2Cc1ccccc1
InChIInChI=1S/C24H19N3O/c1-16-10-13-21-20(14-16)26-24(27(21)15-17-6-3-2-4-7-17)19-12-11-18-8-5-9-22(28)23(18)25-19/h2-14,28H,15H2,1H3
InChIKeyVGCFPCCCKWHYHQ-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.31
Rot. Bonds3

About 2-(1-benzyl-5-methylbenzimidazol-2-yl)quinolin-8-ol

2-(1-benzyl-5-methylbenzimidazol-2-yl)quinolin-8-ol (PubChem CID 172655104) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(1-benzyl-5-methylbenzimidazol-2-yl)quinolin-8-ol.

Molecular Properties

Compound Name2-(1-benzyl-5-methylbenzimidazol-2-yl)quinolin-8-ol
PubChem CID172655104
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name2-(1-benzyl-5-methylbenzimidazol-2-yl)quinolin-8-ol
SMILESCc1ccc2c(c1)nc(-c1ccc3cccc(O)c3n1)n2Cc1ccccc1
InChIInChI=1S/C24H19N3O/c1-16-10-13-21-20(14-16)26-24(27(21)15-17-6-3-2-4-7-17)19-12-11-18-8-5-9-22(28)23(18)25-19/h2-14,28H,15H2,1H3
InChIKeyVGCFPCCCKWHYHQ-UHFFFAOYSA-N
XLogP5.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-Aminopropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 44427436
5-Imidazol-1-ylmethyl-quinolin-8-ol
CID 594190
2-[[4,6-Dimethyl-2-[3-(methylamino)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 17759633
2-[[6-[[2-(2-Hydroxyethyl)anilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24799468
4-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]phenol
CID 168287758
N-Butyl-2,2'-imino-di(8-quinolinol)
CID 2831980
3-[1-(3-hydroxybenzyl)-1H-benzimidazol-2-yl]phenol
CID 888730
5-(1H-benzimidazol-1-ylmethyl)-8-quinolinol
CID 878890
5-[(E)-(1-methyl-1H-benzimidazol-2-yl)diazenyl]quinolin-8-ol
CID 3113698
6-methyl-2-[[6-[(N-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol
CID 24799977
6-Methyl-2-[[6-[(3-methylanilino)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol
CID 24800152
2-[[6-(Anilinomethyl)-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24800153

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-methylbenzimidazol-2-yl)quinolin-8-ol?
The IUPAC name of 2-(1-benzyl-5-methylbenzimidazol-2-yl)quinolin-8-ol (CID 172655104) is 2-(1-benzyl-5-methylbenzimidazol-2-yl)quinolin-8-ol.
What is the SMILES notation for 2-(1-benzyl-5-methylbenzimidazol-2-yl)quinolin-8-ol?
The canonical SMILES for 2-(1-benzyl-5-methylbenzimidazol-2-yl)quinolin-8-ol is Cc1ccc2c(c1)nc(-c1ccc3cccc(O)c3n1)n2Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-5-methylbenzimidazol-2-yl)quinolin-8-ol?
The InChIKey is VGCFPCCCKWHYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-16-10-13-21-20(14-16)26-24(27(21)15-17-6-3-2-4-7-17)19-12-11-18-8-5-9-22(28)23(18)25-19/h2-14,28H,15H2,1H3.
What are the key properties of 2-(1-benzyl-5-methylbenzimidazol-2-yl)quinolin-8-ol?
2-(1-benzyl-5-methylbenzimidazol-2-yl)quinolin-8-ol has a molecular weight of 365.44 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-methylbenzimidazol-2-yl)quinolin-8-ol is sourced from PubChem (CID 172655104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).