2-[1-[(3,5-dimethylphenyl)methyl]-5-methylbenzimidazol-2-yl]quinolin-8-ol

C26H23N3O — CID 172655118

IUPAC2-[1-[(3,5-dimethylphenyl)methyl]-5-methylbenzimidazol-2-yl]quinolin-8-ol
SMILESCc1cc(C)cc(Cn2c(-c3ccc4cccc(O)c4n3)nc3cc(C)ccc32)c1
InChIInChI=1S/C26H23N3O/c1-16-7-10-23-22(14-16)28-26(29(23)15-19-12-17(2)11-18(3)13-19)21-9-8-20-5-4-6-24(30)25(20)27-21/h4-14,30H,15H2,1-3H3
InChIKeyDEHFTEKBKZVJTE-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.93
Rot. Bonds3

About 2-[1-[(3,5-dimethylphenyl)methyl]-5-methylbenzimidazol-2-yl]quinolin-8-ol

2-[1-[(3,5-dimethylphenyl)methyl]-5-methylbenzimidazol-2-yl]quinolin-8-ol (PubChem CID 172655118) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethylphenyl)methyl]-5-methylbenzimidazol-2-yl]quinolin-8-ol.

Molecular Properties

Compound Name2-[1-[(3,5-dimethylphenyl)methyl]-5-methylbenzimidazol-2-yl]quinolin-8-ol
PubChem CID172655118
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name2-[1-[(3,5-dimethylphenyl)methyl]-5-methylbenzimidazol-2-yl]quinolin-8-ol
SMILESCc1cc(C)cc(Cn2c(-c3ccc4cccc(O)c4n3)nc3cc(C)ccc32)c1
InChIInChI=1S/C26H23N3O/c1-16-7-10-23-22(14-16)28-26(29(23)15-19-12-17(2)11-18(3)13-19)21-9-8-20-5-4-6-24(30)25(20)27-21/h4-14,30H,15H2,1-3H3
InChIKeyDEHFTEKBKZVJTE-UHFFFAOYSA-N
XLogP5.93
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.93
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
2-[2-(3-Hydroxypropylamino)-4,6-dimethyl-benzoimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol
CID 5279663
2-[[4,6-Dimethyl-2-[3-(methylamino)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 17759633
2-[[2-[[1-(2-Aminoethyl)piperidin-4-yl]amino]-6-[2-(3-methylphenyl)ethyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24799974
2-[[4,6-Dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
CID 5279659
2-[[6-[(3,5-Dimethylanilino)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24800849
4-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]phenol
CID 168287758
5-(1H-benzimidazol-1-ylmethyl)-8-quinolinol
CID 878890
5-[(E)-(1-methyl-1H-benzimidazol-2-yl)diazenyl]quinolin-8-ol
CID 3113698
2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-6-[(E)-2-(3-methylphenyl)ethenyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24799806
6-methyl-2-[[6-[(E)-2-(3-methylphenyl)ethenyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol
CID 24800151
6-Methyl-2-[[6-[2-(3-methylphenyl)ethyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol
CID 24801375

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethylphenyl)methyl]-5-methylbenzimidazol-2-yl]quinolin-8-ol?
The IUPAC name of 2-[1-[(3,5-dimethylphenyl)methyl]-5-methylbenzimidazol-2-yl]quinolin-8-ol (CID 172655118) is 2-[1-[(3,5-dimethylphenyl)methyl]-5-methylbenzimidazol-2-yl]quinolin-8-ol.
What is the SMILES notation for 2-[1-[(3,5-dimethylphenyl)methyl]-5-methylbenzimidazol-2-yl]quinolin-8-ol?
The canonical SMILES for 2-[1-[(3,5-dimethylphenyl)methyl]-5-methylbenzimidazol-2-yl]quinolin-8-ol is Cc1cc(C)cc(Cn2c(-c3ccc4cccc(O)c4n3)nc3cc(C)ccc32)c1.
What is the InChIKey of 2-[1-[(3,5-dimethylphenyl)methyl]-5-methylbenzimidazol-2-yl]quinolin-8-ol?
The InChIKey is DEHFTEKBKZVJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-16-7-10-23-22(14-16)28-26(29(23)15-19-12-17(2)11-18(3)13-19)21-9-8-20-5-4-6-24(30)25(20)27-21/h4-14,30H,15H2,1-3H3.
What are the key properties of 2-[1-[(3,5-dimethylphenyl)methyl]-5-methylbenzimidazol-2-yl]quinolin-8-ol?
2-[1-[(3,5-dimethylphenyl)methyl]-5-methylbenzimidazol-2-yl]quinolin-8-ol has a molecular weight of 393.49 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethylphenyl)methyl]-5-methylbenzimidazol-2-yl]quinolin-8-ol is sourced from PubChem (CID 172655118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).