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

C28H40N6O2 — CID 59833394

IUPAC2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1cc(C)c2nc(NC3CCN(CCCN4CCOCC4)CC3)n(Cc3nc(C)ccc3O)c2c1
InChIInChI=1S/C28H40N6O2/c1-20-17-21(2)27-25(18-20)34(19-24-26(35)6-5-22(3)29-24)28(31-27)30-23-7-11-32(12-8-23)9-4-10-33-13-15-36-16-14-33/h5-6,17-18,23,35H,4,7-16,19H2,1-3H3,(H,30,31)
InChIKeyDPUDYNXXQPSJOK-UHFFFAOYSA-N
MW492.67 g/mol
LogP3.71
Rot. Bonds8

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

2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 59833394) has the molecular formula C28H40N6O2 and a molecular weight of 492.67 g/mol. Its IUPAC name is 2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID59833394
Molecular FormulaC28H40N6O2
Molecular Weight492.67 g/mol
Exact Mass492.32
IUPAC Name2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1cc(C)c2nc(NC3CCN(CCCN4CCOCC4)CC3)n(Cc3nc(C)ccc3O)c2c1
InChIInChI=1S/C28H40N6O2/c1-20-17-21(2)27-25(18-20)34(19-24-26(35)6-5-22(3)29-24)28(31-27)30-23-7-11-32(12-8-23)9-4-10-33-13-15-36-16-14-33/h5-6,17-18,23,35H,4,7-16,19H2,1-3H3,(H,30,31)
InChIKeyDPUDYNXXQPSJOK-UHFFFAOYSA-N
XLogP3.71
TPSA78.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.67
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

Tmc-353121
CID 11249932
Jnj-2408068
CID 511013
2-[[2-[[1-(2-Aminoethyl)-4-piperidyl]amino]benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
CID 511012
2-[[6-[[N-(2-hydroxyethyl)-3,5-dimethylanilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 11168530
2-[[2-[[1-(2-Amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol
CID 22343463
2-[[6-[(3,5-Dimethylanilino)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24799465
2-[[6-[[N-(2-hydroxyethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24799467
4-[N-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]butanamide
CID 24801203
2-[[2-(3-Aminopropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 44427436
2-[[4,6-Dimethyl-2-[3-(methylamino)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 17759633
2-[[6-[[2-(2-Hydroxyethyl)anilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24799468
2-[[2-[[1-(2-Aminoethyl)piperidin-4-yl]amino]-6-[2-(3-methylphenyl)ethyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24799974

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 59833394) is 2-[[4,6-dimethyl-2-[[1-(3-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-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is Cc1cc(C)c2nc(NC3CCN(CCCN4CCOCC4)CC3)n(Cc3nc(C)ccc3O)c2c1.
What is the InChIKey of 2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is DPUDYNXXQPSJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O2/c1-20-17-21(2)27-25(18-20)34(19-24-26(35)6-5-22(3)29-24)28(31-27)30-23-7-11-32(12-8-23)9-4-10-33-13-15-36-16-14-33/h5-6,17-18,23,35H,4,7-16,19H2,1-3H3,(H,30,31).
What are the key properties of 2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[4,6-dimethyl-2-[[1-(3-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 3.71, 8 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-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 59833394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).