2-[[4,6-dimethyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

C27H38N6O2 — CID 70333657

IUPAC2-[[4,6-dimethyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1cc(C)c2nc(NC3CCN(CCN4CCOCC4)CC3)n(Cc3nc(C)ccc3O)c2c1
InChIInChI=1S/C27H38N6O2/c1-19-16-20(2)26-24(17-19)33(18-23-25(34)5-4-21(3)28-23)27(30-26)29-22-6-8-31(9-7-22)10-11-32-12-14-35-15-13-32/h4-5,16-17,22,34H,6-15,18H2,1-3H3,(H,29,30)
InChIKeyXYDBVAJSEBLUTD-UHFFFAOYSA-N
MW478.64 g/mol
LogP3.32
Rot. Bonds7

About 2-[[4,6-dimethyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[4,6-dimethyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 70333657) has the molecular formula C27H38N6O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 2-[[4,6-dimethyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[4,6-dimethyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID70333657
Molecular FormulaC27H38N6O2
Molecular Weight478.64 g/mol
Exact Mass478.31
IUPAC Name2-[[4,6-dimethyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1cc(C)c2nc(NC3CCN(CCN4CCOCC4)CC3)n(Cc3nc(C)ccc3O)c2c1
InChIInChI=1S/C27H38N6O2/c1-19-16-20(2)26-24(17-19)33(18-23-25(34)5-4-21(3)28-23)27(30-26)29-22-6-8-31(9-7-22)10-11-32-12-14-35-15-13-32/h4-5,16-17,22,34H,6-15,18H2,1-3H3,(H,29,30)
InChIKeyXYDBVAJSEBLUTD-UHFFFAOYSA-N
XLogP3.32
TPSA78.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-dimethyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[4,6-dimethyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 70333657) is 2-[[4,6-dimethyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[4,6-dimethyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[4,6-dimethyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is Cc1cc(C)c2nc(NC3CCN(CCN4CCOCC4)CC3)n(Cc3nc(C)ccc3O)c2c1.
What is the InChIKey of 2-[[4,6-dimethyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is XYDBVAJSEBLUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O2/c1-19-16-20(2)26-24(17-19)33(18-23-25(34)5-4-21(3)28-23)27(30-26)29-22-6-8-31(9-7-22)10-11-32-12-14-35-15-13-32/h4-5,16-17,22,34H,6-15,18H2,1-3H3,(H,29,30).
What are the key properties of 2-[[4,6-dimethyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[4,6-dimethyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 478.64 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-dimethyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 70333657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).