sodium 2-[2-(1H-benzimidazol-2-yl)quinolin-8-yl]oxyacetate

C18H12N3NaO3 — CID 102431809

IUPACsodium 2-[2-(1H-benzimidazol-2-yl)quinolin-8-yl]oxyacetate
SMILESO=C([O-])COc1cccc2ccc(-c3nc4ccccc4[nH]3)nc12.[Na+]
InChIInChI=1S/C18H13N3O3.Na/c22-16(23)10-24-15-7-3-4-11-8-9-14(19-17(11)15)18-20-12-5-1-2-6-13(12)21-18;/h1-9H,10H2,(H,20,21)(H,22,23);/q;+1/p-1
InChIKeyFGDIVJHTXAUTQU-UHFFFAOYSA-M
MW341.30 g/mol
LogP-1.09
Rot. Bonds4

About sodium 2-[2-(1H-benzimidazol-2-yl)quinolin-8-yl]oxyacetate

sodium 2-[2-(1H-benzimidazol-2-yl)quinolin-8-yl]oxyacetate (PubChem CID 102431809) has the molecular formula C18H12N3NaO3 and a molecular weight of 341.30 g/mol. Its IUPAC name is sodium 2-[2-(1H-benzimidazol-2-yl)quinolin-8-yl]oxyacetate.

Molecular Properties

Compound Namesodium 2-[2-(1H-benzimidazol-2-yl)quinolin-8-yl]oxyacetate
PubChem CID102431809
Molecular FormulaC18H12N3NaO3
Molecular Weight341.30 g/mol
Exact Mass341.08
IUPAC Namesodium 2-[2-(1H-benzimidazol-2-yl)quinolin-8-yl]oxyacetate
SMILESO=C([O-])COc1cccc2ccc(-c3nc4ccccc4[nH]3)nc12.[Na+]
InChIInChI=1S/C18H13N3O3.Na/c22-16(23)10-24-15-7-3-4-11-8-9-14(19-17(11)15)18-20-12-5-1-2-6-13(12)21-18;/h1-9H,10H2,(H,20,21)(H,22,23);/q;+1/p-1
InChIKeyFGDIVJHTXAUTQU-UHFFFAOYSA-M
XLogP-1.09
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze sodium 2-[2-(1H-benzimidazol-2-yl)quinolin-8-yl]oxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-quinolin-8-yloxyacetate
CID 6950984
2-(1H-benzimidazol-2-yl)benzo[b][1,10]phenanthroline
CID 175723267
2-(1H-benzimidazol-2-yl)quinoline
CID 646533
6-(1H-benzimidazol-2-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 59406459
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);terephthalic acid;tetrahydrate
CID 139060997
methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate
CID 68519685
8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate
CID 139086197
2-(1H-benzimidazol-2-yl)benzoate;copper(1+)
CID 174857588
2-(1H-benzimidazol-2-yl)acetate
CID 6955878
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1369927
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 40704455

Frequently Asked Questions

What is the IUPAC name of sodium 2-[2-(1H-benzimidazol-2-yl)quinolin-8-yl]oxyacetate?
The IUPAC name of sodium 2-[2-(1H-benzimidazol-2-yl)quinolin-8-yl]oxyacetate (CID 102431809) is sodium 2-[2-(1H-benzimidazol-2-yl)quinolin-8-yl]oxyacetate.
What is the SMILES notation for sodium 2-[2-(1H-benzimidazol-2-yl)quinolin-8-yl]oxyacetate?
The canonical SMILES for sodium 2-[2-(1H-benzimidazol-2-yl)quinolin-8-yl]oxyacetate is O=C([O-])COc1cccc2ccc(-c3nc4ccccc4[nH]3)nc12.[Na+].
What is the InChIKey of sodium 2-[2-(1H-benzimidazol-2-yl)quinolin-8-yl]oxyacetate?
The InChIKey is FGDIVJHTXAUTQU-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H13N3O3.Na/c22-16(23)10-24-15-7-3-4-11-8-9-14(19-17(11)15)18-20-12-5-1-2-6-13(12)21-18;/h1-9H,10H2,(H,20,21)(H,22,23);/q;+1/p-1.
What are the key properties of sodium 2-[2-(1H-benzimidazol-2-yl)quinolin-8-yl]oxyacetate?
sodium 2-[2-(1H-benzimidazol-2-yl)quinolin-8-yl]oxyacetate has a molecular weight of 341.30 g/mol, XLogP of -1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[2-(1H-benzimidazol-2-yl)quinolin-8-yl]oxyacetate is sourced from PubChem (CID 102431809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).