2-[[6-(hydroxymethyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

C22H29N5O4 — CID 59833439

IUPAC2-[[6-(hydroxymethyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NCC(O)CN3CCOCC3)nc3ccc(CO)cc32)n1
InChIInChI=1S/C22H29N5O4/c1-15-2-5-21(30)19(24-15)13-27-20-10-16(14-28)3-4-18(20)25-22(27)23-11-17(29)12-26-6-8-31-9-7-26/h2-5,10,17,28-30H,6-9,11-14H2,1H3,(H,23,25)
InChIKeyWTDRIFNAASFMKG-UHFFFAOYSA-N
MW427.51 g/mol
LogP1.09
Rot. Bonds8

About 2-[[6-(hydroxymethyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[6-(hydroxymethyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 59833439) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-[[6-(hydroxymethyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[6-(hydroxymethyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID59833439
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Name2-[[6-(hydroxymethyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NCC(O)CN3CCOCC3)nc3ccc(CO)cc32)n1
InChIInChI=1S/C22H29N5O4/c1-15-2-5-21(30)19(24-15)13-27-20-10-16(14-28)3-4-18(20)25-22(27)23-11-17(29)12-26-6-8-31-9-7-26/h2-5,10,17,28-30H,6-9,11-14H2,1H3,(H,23,25)
InChIKeyWTDRIFNAASFMKG-UHFFFAOYSA-N
XLogP1.09
TPSA115.90 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 70319389
2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24800669
2-[[6-[[1-ethyl-5-(2-hydroxyethylamino)pyrazol-4-yl]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 59833468
6-methyl-2-[[2-[[2-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]-6-(2-phenylethyl)benzimidazol-1-yl]methyl]pyridin-3-ol
CID 69219197
5-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-5-ium-2-one
CID 70320052
1-[(6-methyl-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 10966962
2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane
CID 159423862
2-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanesulfonic acid
CID 142756887
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-amino-6-(2-aminoethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 70333466
2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 5279689
ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate
CID 24799094

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(hydroxymethyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[6-(hydroxymethyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 59833439) is 2-[[6-(hydroxymethyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[6-(hydroxymethyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[6-(hydroxymethyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(Cn2c(NCC(O)CN3CCOCC3)nc3ccc(CO)cc32)n1.
What is the InChIKey of 2-[[6-(hydroxymethyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is WTDRIFNAASFMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-15-2-5-21(30)19(24-15)13-27-20-10-16(14-28)3-4-18(20)25-22(27)23-11-17(29)12-26-6-8-31-9-7-26/h2-5,10,17,28-30H,6-9,11-14H2,1H3,(H,23,25).
What are the key properties of 2-[[6-(hydroxymethyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[6-(hydroxymethyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 427.51 g/mol, XLogP of 1.09, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(hydroxymethyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 59833439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).