2-hydroxy-5-[2-[[2-hydroxy-3-[(2-oxo-3H-benzimidazol-1-yl)oxy]propyl]amino]ethoxy]benzamide;hydrochloride

C19H23ClN4O6 — CID 70426742

IUPAC2-hydroxy-5-[2-[[2-hydroxy-3-[(2-oxo-3H-benzimidazol-1-yl)oxy]propyl]amino]ethoxy]benzamide;hydrochloride
SMILESCl.NC(=O)c1cc(OCCNCC(O)COn2c(=O)[nH]c3ccccc32)ccc1O
InChIInChI=1S/C19H22N4O6.ClH/c20-18(26)14-9-13(5-6-17(14)25)28-8-7-21-10-12(24)11-29-23-16-4-2-1-3-15(16)22-19(23)27;/h1-6,9,12,21,24-25H,7-8,10-11H2,(H2,20,26)(H,22,27);1H
InChIKeyZNKIRFYLYIJLBS-UHFFFAOYSA-N
MW438.87 g/mol
LogP0.01
Rot. Bonds10

About 2-hydroxy-5-[2-[[2-hydroxy-3-[(2-oxo-3H-benzimidazol-1-yl)oxy]propyl]amino]ethoxy]benzamide;hydrochloride

2-hydroxy-5-[2-[[2-hydroxy-3-[(2-oxo-3H-benzimidazol-1-yl)oxy]propyl]amino]ethoxy]benzamide;hydrochloride (PubChem CID 70426742) has the molecular formula C19H23ClN4O6 and a molecular weight of 438.87 g/mol. Its IUPAC name is 2-hydroxy-5-[2-[[2-hydroxy-3-[(2-oxo-3H-benzimidazol-1-yl)oxy]propyl]amino]ethoxy]benzamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-5-[2-[[2-hydroxy-3-[(2-oxo-3H-benzimidazol-1-yl)oxy]propyl]amino]ethoxy]benzamide;hydrochloride
PubChem CID70426742
Molecular FormulaC19H23ClN4O6
Molecular Weight438.87 g/mol
Exact Mass438.13
IUPAC Name2-hydroxy-5-[2-[[2-hydroxy-3-[(2-oxo-3H-benzimidazol-1-yl)oxy]propyl]amino]ethoxy]benzamide;hydrochloride
SMILESCl.NC(=O)c1cc(OCCNCC(O)COn2c(=O)[nH]c3ccccc32)ccc1O
InChIInChI=1S/C19H22N4O6.ClH/c20-18(26)14-9-13(5-6-17(14)25)28-8-7-21-10-12(24)11-29-23-16-4-2-1-3-15(16)22-19(23)27;/h1-6,9,12,21,24-25H,7-8,10-11H2,(H2,20,26)(H,22,27);1H
InChIKeyZNKIRFYLYIJLBS-UHFFFAOYSA-N
XLogP0.01
TPSA151.83 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.87
LogP ≤ 50.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide
CID 23276135
5-[2-[[2-(4-chloro-3-nitrophenyl)-2-hydroxyethyl]amino]ethoxy]-2-hydroxybenzamide
CID 70598963
4-[2-hydroxy-3-(2-phenoxyethylamino)propoxy]-7-methyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 159320270
2-[4-[2-[(2-hydroxy-3-thiophen-3-yloxypropyl)amino]ethoxy]phenoxy]acetamide;hydrochloride
CID 70366767
2-hydroxy-5-[1-[[2-hydroxy-3-[4-(1-methyl-6-oxo-2-pyridinyl)phenoxy]propyl]amino]-3-phenylpropan-2-yl]oxybenzamide
CID 70492998
2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209571
2-[4-[2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]ethoxy]phenoxy]acetic acid;hydrochloride
CID 54585701
2-acetyl-5-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]-1-benzofuran-3-one
CID 67693125
3-[3-[2-(3,5-dimethylphenoxy)ethylamino]-2-hydroxypropoxy]-5-hydroxy-2,6-dimethyl-1H-pyridin-4-one
CID 70531407
methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate
CID 15034338
4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide
CID 115475945
3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate
CID 67677147

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-[[2-hydroxy-3-[(2-oxo-3H-benzimidazol-1-yl)oxy]propyl]amino]ethoxy]benzamide;hydrochloride?
The IUPAC name of 2-hydroxy-5-[2-[[2-hydroxy-3-[(2-oxo-3H-benzimidazol-1-yl)oxy]propyl]amino]ethoxy]benzamide;hydrochloride (CID 70426742) is 2-hydroxy-5-[2-[[2-hydroxy-3-[(2-oxo-3H-benzimidazol-1-yl)oxy]propyl]amino]ethoxy]benzamide;hydrochloride.
What is the SMILES notation for 2-hydroxy-5-[2-[[2-hydroxy-3-[(2-oxo-3H-benzimidazol-1-yl)oxy]propyl]amino]ethoxy]benzamide;hydrochloride?
The canonical SMILES for 2-hydroxy-5-[2-[[2-hydroxy-3-[(2-oxo-3H-benzimidazol-1-yl)oxy]propyl]amino]ethoxy]benzamide;hydrochloride is Cl.NC(=O)c1cc(OCCNCC(O)COn2c(=O)[nH]c3ccccc32)ccc1O.
What is the InChIKey of 2-hydroxy-5-[2-[[2-hydroxy-3-[(2-oxo-3H-benzimidazol-1-yl)oxy]propyl]amino]ethoxy]benzamide;hydrochloride?
The InChIKey is ZNKIRFYLYIJLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O6.ClH/c20-18(26)14-9-13(5-6-17(14)25)28-8-7-21-10-12(24)11-29-23-16-4-2-1-3-15(16)22-19(23)27;/h1-6,9,12,21,24-25H,7-8,10-11H2,(H2,20,26)(H,22,27);1H.
What are the key properties of 2-hydroxy-5-[2-[[2-hydroxy-3-[(2-oxo-3H-benzimidazol-1-yl)oxy]propyl]amino]ethoxy]benzamide;hydrochloride?
2-hydroxy-5-[2-[[2-hydroxy-3-[(2-oxo-3H-benzimidazol-1-yl)oxy]propyl]amino]ethoxy]benzamide;hydrochloride has a molecular weight of 438.87 g/mol, XLogP of 0.01, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2-[[2-hydroxy-3-[(2-oxo-3H-benzimidazol-1-yl)oxy]propyl]amino]ethoxy]benzamide;hydrochloride is sourced from PubChem (CID 70426742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).