2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

C21H26ClN5O2 — CID 70319389

IUPAC2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NCCN3CCOCC3)nc3ccc(CCl)cc32)n1
InChIInChI=1S/C21H26ClN5O2/c1-15-2-5-20(28)18(24-15)14-27-19-12-16(13-22)3-4-17(19)25-21(27)23-6-7-26-8-10-29-11-9-26/h2-5,12,28H,6-11,13-14H2,1H3,(H,23,25)
InChIKeyHMSUVOQGMAPECW-UHFFFAOYSA-N
MW415.93 g/mol
LogP2.98
Rot. Bonds7

About 2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 70319389) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is 2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID70319389
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC Name2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NCCN3CCOCC3)nc3ccc(CCl)cc32)n1
InChIInChI=1S/C21H26ClN5O2/c1-15-2-5-20(28)18(24-15)14-27-19-12-16(13-22)3-4-17(19)25-21(27)23-6-7-26-8-10-29-11-9-26/h2-5,12,28H,6-11,13-14H2,1H3,(H,23,25)
InChIKeyHMSUVOQGMAPECW-UHFFFAOYSA-N
XLogP2.98
TPSA75.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol with MolForge

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Related Compounds

2-[[6-(hydroxymethyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 59833439
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
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
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
2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24800669
dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde
CID 159699852
ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate
CID 24799094
6-methyl-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-3-ol
CID 78928592
2-[[6-[(3,5-dimethylanilino)methyl]-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24801029
1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine
CID 143063274
4-[N-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]butanamide
CID 70333663
2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane
CID 159423862

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 70319389) is 2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(Cn2c(NCCN3CCOCC3)nc3ccc(CCl)cc32)n1.
What is the InChIKey of 2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is HMSUVOQGMAPECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O2/c1-15-2-5-20(28)18(24-15)14-27-19-12-16(13-22)3-4-17(19)25-21(27)23-6-7-26-8-10-29-11-9-26/h2-5,12,28H,6-11,13-14H2,1H3,(H,23,25).
What are the key properties of 2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 415.93 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 70319389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).