4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]oxycarbonylbenzoic acid

C15H11N3O5 — CID 175602211

IUPAC4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]oxycarbonylbenzoic acid
SMILESO=C(O)c1ccc(C(=O)ONc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C15H11N3O5/c19-13(20)8-1-3-9(4-2-8)14(21)23-18-10-5-6-11-12(7-10)17-15(22)16-11/h1-7,18H,(H,19,20)(H2,16,17,22)
InChIKeyGWVLWQVXYFZKNH-UHFFFAOYSA-N
MW313.27 g/mol
LogP1.74
Rot. Bonds4

About 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]oxycarbonylbenzoic acid

4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]oxycarbonylbenzoic acid (PubChem CID 175602211) has the molecular formula C15H11N3O5 and a molecular weight of 313.27 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]oxycarbonylbenzoic acid.

Molecular Properties

Compound Name4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]oxycarbonylbenzoic acid
PubChem CID175602211
Molecular FormulaC15H11N3O5
Molecular Weight313.27 g/mol
Exact Mass313.07
IUPAC Name4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]oxycarbonylbenzoic acid
SMILESO=C(O)c1ccc(C(=O)ONc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C15H11N3O5/c19-13(20)8-1-3-9(4-2-8)14(21)23-18-10-5-6-11-12(7-10)17-15(22)16-11/h1-7,18H,(H,19,20)(H2,16,17,22)
InChIKeyGWVLWQVXYFZKNH-UHFFFAOYSA-N
XLogP1.74
TPSA124.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-anilinooxycarbonylbenzoic acid
CID 154089254
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-propoxybenzoate
CID 18074969
6-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide
CID 27033587
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propoxybenzamide
CID 2994717
methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate
CID 115142201
5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one
CID 116917457
phenyl N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate
CID 10236287
5-benzoyl-1,3-dihydrobenzimidazol-2-one
CID 854379
1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115192410
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-phenoxypyridine-3-carboxamide
CID 47046694
1-(hydroxymethyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
CID 115182055

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]oxycarbonylbenzoic acid?
The IUPAC name of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]oxycarbonylbenzoic acid (CID 175602211) is 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]oxycarbonylbenzoic acid.
What is the SMILES notation for 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]oxycarbonylbenzoic acid?
The canonical SMILES for 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]oxycarbonylbenzoic acid is O=C(O)c1ccc(C(=O)ONc2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]oxycarbonylbenzoic acid?
The InChIKey is GWVLWQVXYFZKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O5/c19-13(20)8-1-3-9(4-2-8)14(21)23-18-10-5-6-11-12(7-10)17-15(22)16-11/h1-7,18H,(H,19,20)(H2,16,17,22).
What are the key properties of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]oxycarbonylbenzoic acid?
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]oxycarbonylbenzoic acid has a molecular weight of 313.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]oxycarbonylbenzoic acid is sourced from PubChem (CID 175602211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).