2-[[2-[[1-(1-hydroxybutan-2-yl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

C24H33N5O2 — CID 5279712

IUPAC2-[[2-[[1-(1-hydroxybutan-2-yl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCCC(CO)N1CCC(Nc2nc3c(C)cccc3n2Cc2nc(C)ccc2O)CC1
InChIInChI=1S/C24H33N5O2/c1-4-19(15-30)28-12-10-18(11-13-28)26-24-27-23-16(2)6-5-7-21(23)29(24)14-20-22(31)9-8-17(3)25-20/h5-9,18-19,30-31H,4,10-15H2,1-3H3,(H,26,27)
InChIKeyZBEHPKNJHHXRDP-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.45
Rot. Bonds7

About 2-[[2-[[1-(1-hydroxybutan-2-yl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[2-[[1-(1-hydroxybutan-2-yl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 5279712) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[[2-[[1-(1-hydroxybutan-2-yl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[2-[[1-(1-hydroxybutan-2-yl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID5279712
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name2-[[2-[[1-(1-hydroxybutan-2-yl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCCC(CO)N1CCC(Nc2nc3c(C)cccc3n2Cc2nc(C)ccc2O)CC1
InChIInChI=1S/C24H33N5O2/c1-4-19(15-30)28-12-10-18(11-13-28)26-24-27-23-16(2)6-5-7-21(23)29(24)14-20-22(31)9-8-17(3)25-20/h5-9,18-19,30-31H,4,10-15H2,1-3H3,(H,26,27)
InChIKeyZBEHPKNJHHXRDP-UHFFFAOYSA-N
XLogP3.45
TPSA86.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[[1-(1-hydroxybutan-2-yl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol with MolForge

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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
3-[[1-[(3-Hydroxy-6-methyl-2-pyridyl)methyl]-4,6-dimethyl-benzimidazol-2-yl]amino]propane-1,2-diol
CID 5279660
2-[2-(3-Hydroxypropylamino)-4,6-dimethyl-benzoimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol
CID 5279663
6-Methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)-4-piperidyl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
CID 5279701

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[1-(1-hydroxybutan-2-yl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[2-[[1-(1-hydroxybutan-2-yl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 5279712) is 2-[[2-[[1-(1-hydroxybutan-2-yl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[2-[[1-(1-hydroxybutan-2-yl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[2-[[1-(1-hydroxybutan-2-yl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is CCC(CO)N1CCC(Nc2nc3c(C)cccc3n2Cc2nc(C)ccc2O)CC1.
What is the InChIKey of 2-[[2-[[1-(1-hydroxybutan-2-yl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is ZBEHPKNJHHXRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-4-19(15-30)28-12-10-18(11-13-28)26-24-27-23-16(2)6-5-7-21(23)29(24)14-20-22(31)9-8-17(3)25-20/h5-9,18-19,30-31H,4,10-15H2,1-3H3,(H,26,27).
What are the key properties of 2-[[2-[[1-(1-hydroxybutan-2-yl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[2-[[1-(1-hydroxybutan-2-yl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 423.56 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[1-(1-hydroxybutan-2-yl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 5279712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).