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

C28H40N6O2 — CID 69219193

IUPAC2-[[4,6-dimethyl-2-[2-morpholin-4-ylpropyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1cc(C)c2nc(N(CC(C)N3CCOCC3)C3CCNCC3)n(Cc3nc(C)ccc3O)c2c1
InChIInChI=1S/C28H40N6O2/c1-19-15-20(2)27-25(16-19)34(18-24-26(35)6-5-21(3)30-24)28(31-27)33(23-7-9-29-10-8-23)17-22(4)32-11-13-36-14-12-32/h5-6,15-16,22-23,29,35H,7-14,17-18H2,1-4H3
InChIKeyMSRWGJWZPLSATN-UHFFFAOYSA-N
MW492.67 g/mol
LogP3.39
Rot. Bonds7

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

2-[[4,6-dimethyl-2-[2-morpholin-4-ylpropyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 69219193) has the molecular formula C28H40N6O2 and a molecular weight of 492.67 g/mol. Its IUPAC name is 2-[[4,6-dimethyl-2-[2-morpholin-4-ylpropyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[4,6-dimethyl-2-[2-morpholin-4-ylpropyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID69219193
Molecular FormulaC28H40N6O2
Molecular Weight492.67 g/mol
Exact Mass492.32
IUPAC Name2-[[4,6-dimethyl-2-[2-morpholin-4-ylpropyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1cc(C)c2nc(N(CC(C)N3CCOCC3)C3CCNCC3)n(Cc3nc(C)ccc3O)c2c1
InChIInChI=1S/C28H40N6O2/c1-19-15-20(2)27-25(16-19)34(18-24-26(35)6-5-21(3)30-24)28(31-27)33(23-7-9-29-10-8-23)17-22(4)32-11-13-36-14-12-32/h5-6,15-16,22-23,29,35H,7-14,17-18H2,1-4H3
InChIKeyMSRWGJWZPLSATN-UHFFFAOYSA-N
XLogP3.39
TPSA78.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.67
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4,6-dimethyl-2-[2-morpholin-4-ylpropyl(piperidin-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-[[4,6-dimethyl-2-[2-morpholin-4-ylpropyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[4,6-dimethyl-2-[2-morpholin-4-ylpropyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 69219193) is 2-[[4,6-dimethyl-2-[2-morpholin-4-ylpropyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[4,6-dimethyl-2-[2-morpholin-4-ylpropyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[4,6-dimethyl-2-[2-morpholin-4-ylpropyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is Cc1cc(C)c2nc(N(CC(C)N3CCOCC3)C3CCNCC3)n(Cc3nc(C)ccc3O)c2c1.
What is the InChIKey of 2-[[4,6-dimethyl-2-[2-morpholin-4-ylpropyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is MSRWGJWZPLSATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O2/c1-19-15-20(2)27-25(16-19)34(18-24-26(35)6-5-21(3)30-24)28(31-27)33(23-7-9-29-10-8-23)17-22(4)32-11-13-36-14-12-32/h5-6,15-16,22-23,29,35H,7-14,17-18H2,1-4H3.
What are the key properties of 2-[[4,6-dimethyl-2-[2-morpholin-4-ylpropyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[4,6-dimethyl-2-[2-morpholin-4-ylpropyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 492.67 g/mol, XLogP of 3.39, 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-[2-morpholin-4-ylpropyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 69219193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).