2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]acetic acid

C9H8N2O4 — CID 84675808

IUPAC2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]acetic acid
SMILESO=C(O)COc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H8N2O4/c12-8(13)4-15-5-1-2-6-7(3-5)11-9(14)10-6/h1-3H,4H2,(H,12,13)(H2,10,11,14)
InChIKeyKSNFDNFJXTZPMK-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.32
Rot. Bonds3

About 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]acetic acid

2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]acetic acid (PubChem CID 84675808) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]acetic acid
PubChem CID84675808
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]acetic acid
SMILESO=C(O)COc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H8N2O4/c12-8(13)4-15-5-1-2-6-7(3-5)11-9(14)10-6/h1-3H,4H2,(H,12,13)(H2,10,11,14)
InChIKeyKSNFDNFJXTZPMK-UHFFFAOYSA-N
XLogP0.32
TPSA95.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-methoxy-1,3-dihydrobenzimidazol-2-one
CID 143892741
2-[4-[12-[4-(carboxymethoxy)phenoxy]dodecoxy]phenoxy]acetic acid
CID 139839554
(2,3-dioxo-1,4-dihydroquinoxalin-6-yl) hydrogen carbonate
CID 70508799
2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 112778728
ethane;2-(4-sulfanylphenoxy)acetic acid
CID 69456856
2-(4-phosphanylphenoxy)acetic acid
CID 143227716
1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one
CID 157345217
2-(4-bromo-3-chlorophenoxy)acetic acid
CID 22633682
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
2-phenoxyacetic acid;titanium
CID 174896747
2-[2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-oxoethoxy]acetic acid
CID 61329534
N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692387

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]acetic acid?
The IUPAC name of 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]acetic acid (CID 84675808) is 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]acetic acid?
The canonical SMILES for 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]acetic acid is O=C(O)COc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]acetic acid?
The InChIKey is KSNFDNFJXTZPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-8(13)4-15-5-1-2-6-7(3-5)11-9(14)10-6/h1-3H,4H2,(H,12,13)(H2,10,11,14).
What are the key properties of 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]acetic acid?
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]acetic acid has a molecular weight of 208.17 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]acetic acid is sourced from PubChem (CID 84675808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).