2-(chloromethyl)pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;3-[(3-hydroxy-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol;hydrochloride

C84H108Cl2N20O12 — CID 158383322

About 2-(chloromethyl)pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;3-[(3-hydroxy-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol;hydrochloride

2-(chloromethyl)pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;3-[(3-hydroxy-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol;hydrochloride (PubChem CID 158383322) has the molecular formula C84H108Cl2N20O12 and a molecular weight of 1660.82 g/mol. Its IUPAC name is 2-(chloromethyl)pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;3-[(3-hydroxy-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol;hydrochloride.

Molecular Properties

• Compound Name: 2-(chloromethyl)pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;3-[(3-hydroxy-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol;hydrochloride
• PubChem CID: 158383322
• Molecular Formula: C84H108Cl2N20O12
• Molecular Weight: 1660.82 g/mol
• Exact Mass: 1658.78
• IUPAC Name: 2-(chloromethyl)pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;3-[(3-hydroxy-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol;hydrochloride
• SMILES: Cl.O=Cc1ccc2nc(NCCCN3CCOCC3)n(Cc3ncccc3O)c2c1.OCc1ccc2c(c1)nc(NCCCN1CCOCC1)n2Cc1ncccc1O.OCc1ccc2nc(NCCCN3CCOCC3)[nH]c2c1.OCc1ccc2nc(NCCCN3CCOCC3)n(Cc3ncccc3O)c2c1.Oc1cccnc1CCl
• InChI: InChI=1S/2C21H27N5O3.C21H25N5O3.C15H22N4O2.C6H6ClNO.ClH/c27-15-16-4-5-19-17(13-16)24-21(23-7-2-8-25-9-11-29-12-10-25)26(19)14-18-20(28)3-1-6-22-18;2*27-15-16-4-5-17-19(13-16)26(14-18-20(28)3-1-6-22-18)21(24-17)23-7-2-8-25-9-11-29-12-10-25;20-11-12-2-3-13-14(10-12)18-15(17-13)16-4-1-5-19-6-8-21-9-7-19;7-4-5-6(9)2-1-3-8-5;/h2*1,3-6,13,27-28H,2,7-12,14-15H2,(H,23,24);1,3-6,13,15,28H,2,7-12,14H2,(H,23,24);2-3,10,20H,1,4-9,11H2,(H2,16,17,18);1-3,9H,4H2;1H
• InChIKey: RMYYOWXRJCYENC-UHFFFAOYSA-N
• XLogP: 8.89
• TPSA: 390.38 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 31
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1660.82
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;3-[(3-hydroxy-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol;hydrochloride?

The IUPAC name of 2-(chloromethyl)pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;3-[(3-hydroxy-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol;hydrochloride (CID 158383322) is 2-(chloromethyl)pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;3-[(3-hydroxy-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol;hydrochloride.

What is the SMILES notation for 2-(chloromethyl)pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;3-[(3-hydroxy-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol;hydrochloride?

The canonical SMILES for 2-(chloromethyl)pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;3-[(3-hydroxy-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol;hydrochloride is Cl.O=Cc1ccc2nc(NCCCN3CCOCC3)n(Cc3ncccc3O)c2c1.OCc1ccc2c(c1)nc(NCCCN1CCOCC1)n2Cc1ncccc1O.OCc1ccc2nc(NCCCN3CCOCC3)[nH]c2c1.OCc1ccc2nc(NCCCN3CCOCC3)n(Cc3ncccc3O)c2c1.Oc1cccnc1CCl.

What is the InChIKey of 2-(chloromethyl)pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;3-[(3-hydroxy-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol;hydrochloride?

The InChIKey is RMYYOWXRJCYENC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H27N5O3.C21H25N5O3.C15H22N4O2.C6H6ClNO.ClH/c27-15-16-4-5-19-17(13-16)24-21(23-7-2-8-25-9-11-29-12-10-25)26(19)14-18-20(28)3-1-6-22-18;2*27-15-16-4-5-17-19(13-16)26(14-18-20(28)3-1-6-22-18)21(24-17)23-7-2-8-25-9-11-29-12-10-25;20-11-12-2-3-13-14(10-12)18-15(17-13)16-4-1-5-19-6-8-21-9-7-19;7-4-5-6(9)2-1-3-8-5;/h2*1,3-6,13,27-28H,2,7-12,14-15H2,(H,23,24);1,3-6,13,15,28H,2,7-12,14H2,(H,23,24);2-3,10,20H,1,4-9,11H2,(H2,16,17,18);1-3,9H,4H2;1H.

What are the key properties of 2-(chloromethyl)pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;3-[(3-hydroxy-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol;hydrochloride?

2-(chloromethyl)pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;3-[(3-hydroxy-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol;hydrochloride has a molecular weight of 1660.82 g/mol, XLogP of 8.89, 31 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(chloromethyl)pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;3-[(3-hydroxy-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol;hydrochloride is sourced from PubChem (CID 158383322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).