2-[2-(2-hydroxy-5-methyl-3-pyridin-2-ylphenyl)-3,6-dimethylimidazo[4,5-e]benzimidazol-7-yl]-4-methyl-6-pyridin-2-ylphenol

C34H28N6O2 — CID 135961683

IUPAC2-[2-(2-hydroxy-5-methyl-3-pyridin-2-ylphenyl)-3,6-dimethylimidazo[4,5-e]benzimidazol-7-yl]-4-methyl-6-pyridin-2-ylphenol
SMILESCc1cc(-c2ccccn2)c(O)c(-c2nc3c4nc(-c5cc(C)cc(-c6ccccn6)c5O)n(C)c4ccc3n2C)c1
InChIInChI=1S/C34H28N6O2/c1-19-15-21(25-9-5-7-13-35-25)31(41)23(17-19)33-37-29-27(39(33)3)11-12-28-30(29)38-34(40(28)4)24-18-20(2)16-22(32(24)42)26-10-6-8-14-36-26/h5-18,41-42H,1-4H3
InChIKeyLWRXGZKYYODIDZ-UHFFFAOYSA-N
MW552.64 g/mol
LogP6.95
Rot. Bonds4

About 2-[2-(2-hydroxy-5-methyl-3-pyridin-2-ylphenyl)-3,6-dimethylimidazo[4,5-e]benzimidazol-7-yl]-4-methyl-6-pyridin-2-ylphenol

2-[2-(2-hydroxy-5-methyl-3-pyridin-2-ylphenyl)-3,6-dimethylimidazo[4,5-e]benzimidazol-7-yl]-4-methyl-6-pyridin-2-ylphenol (PubChem CID 135961683) has the molecular formula C34H28N6O2 and a molecular weight of 552.64 g/mol. Its IUPAC name is 2-[2-(2-hydroxy-5-methyl-3-pyridin-2-ylphenyl)-3,6-dimethylimidazo[4,5-e]benzimidazol-7-yl]-4-methyl-6-pyridin-2-ylphenol.

Molecular Properties

Compound Name2-[2-(2-hydroxy-5-methyl-3-pyridin-2-ylphenyl)-3,6-dimethylimidazo[4,5-e]benzimidazol-7-yl]-4-methyl-6-pyridin-2-ylphenol
PubChem CID135961683
Molecular FormulaC34H28N6O2
Molecular Weight552.64 g/mol
Exact Mass552.23
IUPAC Name2-[2-(2-hydroxy-5-methyl-3-pyridin-2-ylphenyl)-3,6-dimethylimidazo[4,5-e]benzimidazol-7-yl]-4-methyl-6-pyridin-2-ylphenol
SMILESCc1cc(-c2ccccn2)c(O)c(-c2nc3c4nc(-c5cc(C)cc(-c6ccccn6)c5O)n(C)c4ccc3n2C)c1
InChIInChI=1S/C34H28N6O2/c1-19-15-21(25-9-5-7-13-35-25)31(41)23(17-19)33-37-29-27(39(33)3)11-12-28-30(29)38-34(40(28)4)24-18-20(2)16-22(32(24)42)26-10-6-8-14-36-26/h5-18,41-42H,1-4H3
InChIKeyLWRXGZKYYODIDZ-UHFFFAOYSA-N
XLogP6.95
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-(2-hydroxy-5-methyl-3-pyridin-2-ylphenyl)-3,6-dimethylimidazo[4,5-e]benzimidazol-7-yl]-4-methyl-6-pyridin-2-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{3-[(2,6-Dimethylphenyl)amino]imidazo[1,2-a]pyrimidin-2-yl}phenol
CID 15990343
N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-[6-(2-hydroxy-phenyl)-pyridin-3-ylmethyl]-9H-purine-2,6-diamine
CID 136219283
4-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]phenol
CID 168287758
2-allyl-6-{(E)-[(2-phenylimidazo[1,2-a]pyridin-8-yl)imino]methyl}phenol
CID 5179799
2-[5-[[2-[(4-Aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2-pyridinyl]phenol
CID 155539272
2,6-Difluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168269366
2-Methyl-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168274980
2-Fluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168275450
2,6-Dimethyl-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168280997
4-[2-Methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168281720
2-Hydroxy-5-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 168282182
3-Fluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168295195

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxy-5-methyl-3-pyridin-2-ylphenyl)-3,6-dimethylimidazo[4,5-e]benzimidazol-7-yl]-4-methyl-6-pyridin-2-ylphenol?
The IUPAC name of 2-[2-(2-hydroxy-5-methyl-3-pyridin-2-ylphenyl)-3,6-dimethylimidazo[4,5-e]benzimidazol-7-yl]-4-methyl-6-pyridin-2-ylphenol (CID 135961683) is 2-[2-(2-hydroxy-5-methyl-3-pyridin-2-ylphenyl)-3,6-dimethylimidazo[4,5-e]benzimidazol-7-yl]-4-methyl-6-pyridin-2-ylphenol.
What is the SMILES notation for 2-[2-(2-hydroxy-5-methyl-3-pyridin-2-ylphenyl)-3,6-dimethylimidazo[4,5-e]benzimidazol-7-yl]-4-methyl-6-pyridin-2-ylphenol?
The canonical SMILES for 2-[2-(2-hydroxy-5-methyl-3-pyridin-2-ylphenyl)-3,6-dimethylimidazo[4,5-e]benzimidazol-7-yl]-4-methyl-6-pyridin-2-ylphenol is Cc1cc(-c2ccccn2)c(O)c(-c2nc3c4nc(-c5cc(C)cc(-c6ccccn6)c5O)n(C)c4ccc3n2C)c1.
What is the InChIKey of 2-[2-(2-hydroxy-5-methyl-3-pyridin-2-ylphenyl)-3,6-dimethylimidazo[4,5-e]benzimidazol-7-yl]-4-methyl-6-pyridin-2-ylphenol?
The InChIKey is LWRXGZKYYODIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N6O2/c1-19-15-21(25-9-5-7-13-35-25)31(41)23(17-19)33-37-29-27(39(33)3)11-12-28-30(29)38-34(40(28)4)24-18-20(2)16-22(32(24)42)26-10-6-8-14-36-26/h5-18,41-42H,1-4H3.
What are the key properties of 2-[2-(2-hydroxy-5-methyl-3-pyridin-2-ylphenyl)-3,6-dimethylimidazo[4,5-e]benzimidazol-7-yl]-4-methyl-6-pyridin-2-ylphenol?
2-[2-(2-hydroxy-5-methyl-3-pyridin-2-ylphenyl)-3,6-dimethylimidazo[4,5-e]benzimidazol-7-yl]-4-methyl-6-pyridin-2-ylphenol has a molecular weight of 552.64 g/mol, XLogP of 6.95, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxy-5-methyl-3-pyridin-2-ylphenyl)-3,6-dimethylimidazo[4,5-e]benzimidazol-7-yl]-4-methyl-6-pyridin-2-ylphenol is sourced from PubChem (CID 135961683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).