2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol

C24H19N3O — CID 172655107

IUPAC2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol
SMILESCc1ccc(Cn2c(-c3ccc4cccc(O)c4n3)nc3ccccc32)cc1
InChIInChI=1S/C24H19N3O/c1-16-9-11-17(12-10-16)15-27-21-7-3-2-6-19(21)26-24(27)20-14-13-18-5-4-8-22(28)23(18)25-20/h2-14,28H,15H2,1H3
InChIKeyMQKRSXTWDLAFEI-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.31
Rot. Bonds3

About 2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol

2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol (PubChem CID 172655107) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol.

Molecular Properties

Compound Name2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol
PubChem CID172655107
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol
SMILESCc1ccc(Cn2c(-c3ccc4cccc(O)c4n3)nc3ccccc32)cc1
InChIInChI=1S/C24H19N3O/c1-16-9-11-17(12-10-16)15-27-21-7-3-2-6-19(21)26-24(27)20-14-13-18-5-4-8-22(28)23(18)25-20/h2-14,28H,15H2,1H3
InChIKeyMQKRSXTWDLAFEI-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

N-benzyl-8-methoxy-2-(2-methylbenzimidazol-1-yl)quinazolin-4-amine
CID 89927958
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
6-(Diethylaminomethyl)-3-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]amino]phenol
CID 164625786
4-[[2-[3-(Diethylaminomethyl)-2-hydroxy-6-methylanilino]benzimidazol-1-yl]methyl]benzonitrile
CID 164627210
N-benzyl-2-(2-ethylbenzimidazol-1-yl)-8-methoxyquinazolin-4-amine
CID 89941289
2-(Pyrrolidin-1-yl)quinolin-8-ol
CID 16835891
7-(2-Aminobenzimidazol-1-yl)quinolin-8-ol
CID 164617921
2-[2-(Benzylamino)benzimidazol-1-yl]phenol
CID 164619841

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol?
The IUPAC name of 2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol (CID 172655107) is 2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol.
What is the SMILES notation for 2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol?
The canonical SMILES for 2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol is Cc1ccc(Cn2c(-c3ccc4cccc(O)c4n3)nc3ccccc32)cc1.
What is the InChIKey of 2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol?
The InChIKey is MQKRSXTWDLAFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-16-9-11-17(12-10-16)15-27-21-7-3-2-6-19(21)26-24(27)20-14-13-18-5-4-8-22(28)23(18)25-20/h2-14,28H,15H2,1H3.
What are the key properties of 2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol?
2-[1-[(4-methylphenyl)methyl]benzimidazol-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-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol is sourced from PubChem (CID 172655107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).