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

C25H21N3O — CID 172655112

IUPAC2-[1-[(3,5-dimethylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol
SMILESCc1cc(C)cc(Cn2c(-c3ccc4cccc(O)c4n3)nc3ccccc32)c1
InChIInChI=1S/C25H21N3O/c1-16-12-17(2)14-18(13-16)15-28-22-8-4-3-7-20(22)27-25(28)21-11-10-19-6-5-9-23(29)24(19)26-21/h3-14,29H,15H2,1-2H3
InChIKeyJXKAYIJQQXLIFY-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.62
Rot. Bonds3

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

2-[1-[(3,5-dimethylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol (PubChem CID 172655112) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol.

Molecular Properties

Compound Name2-[1-[(3,5-dimethylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol
PubChem CID172655112
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name2-[1-[(3,5-dimethylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol
SMILESCc1cc(C)cc(Cn2c(-c3ccc4cccc(O)c4n3)nc3ccccc32)c1
InChIInChI=1S/C25H21N3O/c1-16-12-17(2)14-18(13-16)15-28-22-8-4-3-7-20(22)27-25(28)21-11-10-19-6-5-9-23(29)24(19)26-21/h3-14,29H,15H2,1-2H3
InChIKeyJXKAYIJQQXLIFY-UHFFFAOYSA-N
XLogP5.62
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-(2-Aminobenzimidazol-1-yl)-3-methylphenol
CID 164611587
4-[2-Methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168281720
7-(2-Aminobenzimidazol-1-yl)quinolin-8-ol
CID 164617921
2-[2-(Benzylamino)benzimidazol-1-yl]phenol
CID 164619841
2-Fluoro-5-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168278577
2-[2-Methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168284340
18-Methoxy-3,10,20-triazapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(12),2,4,6,8,13,15,17,19-nonaene
CID 145972780

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol?
The IUPAC name of 2-[1-[(3,5-dimethylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol (CID 172655112) is 2-[1-[(3,5-dimethylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol.
What is the SMILES notation for 2-[1-[(3,5-dimethylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol?
The canonical SMILES for 2-[1-[(3,5-dimethylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol is Cc1cc(C)cc(Cn2c(-c3ccc4cccc(O)c4n3)nc3ccccc32)c1.
What is the InChIKey of 2-[1-[(3,5-dimethylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol?
The InChIKey is JXKAYIJQQXLIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c1-16-12-17(2)14-18(13-16)15-28-22-8-4-3-7-20(22)27-25(28)21-11-10-19-6-5-9-23(29)24(19)26-21/h3-14,29H,15H2,1-2H3.
What are the key properties of 2-[1-[(3,5-dimethylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol?
2-[1-[(3,5-dimethylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol has a molecular weight of 379.46 g/mol, XLogP of 5.62, 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]benzimidazol-2-yl]quinolin-8-ol is sourced from PubChem (CID 172655112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).