2-[[6-[[N-(2-hydroxyethyl)anilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

C29H36N6O2 — CID 24801706

IUPAC2-[[6-[[N-(2-hydroxyethyl)anilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NC3CCN(C)CC3)nc3ccc(CN(CCO)c4ccccc4)cc32)n1
InChIInChI=1S/C29H36N6O2/c1-21-8-11-28(37)26(30-21)20-35-27-18-22(19-34(16-17-36)24-6-4-3-5-7-24)9-10-25(27)32-29(35)31-23-12-14-33(2)15-13-23/h3-11,18,23,36-37H,12-17,19-20H2,1-2H3,(H,31,32)
InChIKeyAJAJHTKSBWGTNA-UHFFFAOYSA-N
MW500.65 g/mol
LogP4.00
Rot. Bonds9

About 2-[[6-[[N-(2-hydroxyethyl)anilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[6-[[N-(2-hydroxyethyl)anilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 24801706) has the molecular formula C29H36N6O2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 2-[[6-[[N-(2-hydroxyethyl)anilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[6-[[N-(2-hydroxyethyl)anilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID24801706
Molecular FormulaC29H36N6O2
Molecular Weight500.65 g/mol
Exact Mass500.29
IUPAC Name2-[[6-[[N-(2-hydroxyethyl)anilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NC3CCN(C)CC3)nc3ccc(CN(CCO)c4ccccc4)cc32)n1
InChIInChI=1S/C29H36N6O2/c1-21-8-11-28(37)26(30-21)20-35-27-18-22(19-34(16-17-36)24-6-4-3-5-7-24)9-10-25(27)32-29(35)31-23-12-14-33(2)15-13-23/h3-11,18,23,36-37H,12-17,19-20H2,1-2H3,(H,31,32)
InChIKeyAJAJHTKSBWGTNA-UHFFFAOYSA-N
XLogP4.00
TPSA89.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.65
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[6-[[N-(2-hydroxyethyl)anilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[N-(2-hydroxyethyl)anilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[6-[[N-(2-hydroxyethyl)anilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 24801706) is 2-[[6-[[N-(2-hydroxyethyl)anilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[6-[[N-(2-hydroxyethyl)anilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[6-[[N-(2-hydroxyethyl)anilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(Cn2c(NC3CCN(C)CC3)nc3ccc(CN(CCO)c4ccccc4)cc32)n1.
What is the InChIKey of 2-[[6-[[N-(2-hydroxyethyl)anilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is AJAJHTKSBWGTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O2/c1-21-8-11-28(37)26(30-21)20-35-27-18-22(19-34(16-17-36)24-6-4-3-5-7-24)9-10-25(27)32-29(35)31-23-12-14-33(2)15-13-23/h3-11,18,23,36-37H,12-17,19-20H2,1-2H3,(H,31,32).
What are the key properties of 2-[[6-[[N-(2-hydroxyethyl)anilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[6-[[N-(2-hydroxyethyl)anilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 500.65 g/mol, XLogP of 4.00, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[[N-(2-hydroxyethyl)anilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 24801706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).