2-[1-[2-(hydroxyamino)-2-oxoethyl]benzimidazol-2-yl]benzoic acid

C16H13N3O4 — CID 155737900

IUPAC2-[1-[2-(hydroxyamino)-2-oxoethyl]benzimidazol-2-yl]benzoic acid
SMILESO=C(Cn1c(-c2ccccc2C(=O)O)nc2ccccc21)NO
InChIInChI=1S/C16H13N3O4/c20-14(18-23)9-19-13-8-4-3-7-12(13)17-15(19)10-5-1-2-6-11(10)16(21)22/h1-8,23H,9H2,(H,18,20)(H,21,22)
InChIKeyVUZIHQOOHDNLDS-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.91
Rot. Bonds4

About 2-[1-[2-(hydroxyamino)-2-oxoethyl]benzimidazol-2-yl]benzoic acid

2-[1-[2-(hydroxyamino)-2-oxoethyl]benzimidazol-2-yl]benzoic acid (PubChem CID 155737900) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-[1-[2-(hydroxyamino)-2-oxoethyl]benzimidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[1-[2-(hydroxyamino)-2-oxoethyl]benzimidazol-2-yl]benzoic acid
PubChem CID155737900
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Name2-[1-[2-(hydroxyamino)-2-oxoethyl]benzimidazol-2-yl]benzoic acid
SMILESO=C(Cn1c(-c2ccccc2C(=O)O)nc2ccccc21)NO
InChIInChI=1S/C16H13N3O4/c20-14(18-23)9-19-13-8-4-3-7-12(13)17-15(19)10-5-1-2-6-11(10)16(21)22/h1-8,23H,9H2,(H,18,20)(H,21,22)
InChIKeyVUZIHQOOHDNLDS-UHFFFAOYSA-N
XLogP1.91
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
CID 17032773
N-(4-methylphenyl)-2-[2-(2-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032745
N-ethyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032718
2-(4-chloro-2-fluoro-3-hydroxyphenyl)-1-[2-(hydroxyamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 155737891
2-(2-phenylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17032674
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide
CID 155384841
N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide
CID 17033248
methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate
CID 17002230
2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid
CID 42634637
N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
CID 5252722

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(hydroxyamino)-2-oxoethyl]benzimidazol-2-yl]benzoic acid?
The IUPAC name of 2-[1-[2-(hydroxyamino)-2-oxoethyl]benzimidazol-2-yl]benzoic acid (CID 155737900) is 2-[1-[2-(hydroxyamino)-2-oxoethyl]benzimidazol-2-yl]benzoic acid.
What is the SMILES notation for 2-[1-[2-(hydroxyamino)-2-oxoethyl]benzimidazol-2-yl]benzoic acid?
The canonical SMILES for 2-[1-[2-(hydroxyamino)-2-oxoethyl]benzimidazol-2-yl]benzoic acid is O=C(Cn1c(-c2ccccc2C(=O)O)nc2ccccc21)NO.
What is the InChIKey of 2-[1-[2-(hydroxyamino)-2-oxoethyl]benzimidazol-2-yl]benzoic acid?
The InChIKey is VUZIHQOOHDNLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c20-14(18-23)9-19-13-8-4-3-7-12(13)17-15(19)10-5-1-2-6-11(10)16(21)22/h1-8,23H,9H2,(H,18,20)(H,21,22).
What are the key properties of 2-[1-[2-(hydroxyamino)-2-oxoethyl]benzimidazol-2-yl]benzoic acid?
2-[1-[2-(hydroxyamino)-2-oxoethyl]benzimidazol-2-yl]benzoic acid has a molecular weight of 311.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(hydroxyamino)-2-oxoethyl]benzimidazol-2-yl]benzoic acid is sourced from PubChem (CID 155737900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).