2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol

C25H21N3O — CID 172655113

IUPAC2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol
SMILESCc1ccc(Cn2c(-c3ccc4cccc(O)c4n3)nc3cc(C)ccc32)cc1
InChIInChI=1S/C25H21N3O/c1-16-6-9-18(10-7-16)15-28-22-13-8-17(2)14-21(22)27-25(28)20-12-11-19-4-3-5-23(29)24(19)26-20/h3-14,29H,15H2,1-2H3
InChIKeyRAPXKFOLGRRHLU-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.62
Rot. Bonds3

About 2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol

2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol (PubChem CID 172655113) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol.

Molecular Properties

Compound Name2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol
PubChem CID172655113
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol
SMILESCc1ccc(Cn2c(-c3ccc4cccc(O)c4n3)nc3cc(C)ccc32)cc1
InChIInChI=1S/C25H21N3O/c1-16-6-9-18(10-7-16)15-28-22-13-8-17(2)14-21(22)27-25(28)20-12-11-19-4-3-5-23(29)24(19)26-20/h3-14,29H,15H2,1-2H3
InChIKeyRAPXKFOLGRRHLU-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

5-Imidazol-1-ylmethyl-quinolin-8-ol
CID 594190
N-Butyl-2,2'-imino-di(8-quinolinol)
CID 2831980
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)naphthalen-1-ol
CID 164621421
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
7-(2-Aminobenzimidazol-1-yl)quinolin-8-ol
CID 164617921
6-(Diethylaminomethyl)-2-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]-3-methylphenol
CID 164629210
2-[[4,6-Dimethyl-2-(phenethylamino)benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
CID 5279674
6-Methyl-2-[(4-methylbenzimidazol-1-yl)methyl]pyridin-3-ol
CID 44427437
2-(1H-Imidazol-1-yl)quinolin-8-ol
CID 57939349

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol?
The IUPAC name of 2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol (CID 172655113) is 2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol.
What is the SMILES notation for 2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol?
The canonical SMILES for 2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol is Cc1ccc(Cn2c(-c3ccc4cccc(O)c4n3)nc3cc(C)ccc32)cc1.
What is the InChIKey of 2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol?
The InChIKey is RAPXKFOLGRRHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c1-16-6-9-18(10-7-16)15-28-22-13-8-17(2)14-21(22)27-25(28)20-12-11-19-4-3-5-23(29)24(19)26-20/h3-14,29H,15H2,1-2H3.
What are the key properties of 2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol?
2-[5-methyl-1-[(4-methylphenyl)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-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]quinolin-8-ol is sourced from PubChem (CID 172655113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).