5-(4,5-dihydro-1H-imidazole-2-carbonylamino)-2-hydroxybenzoic acid

C11H11N3O4 — CID 91901926

IUPAC5-(4,5-dihydro-1H-imidazole-2-carbonylamino)-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)c(C(=O)O)c1)C1=NCCN1
InChIInChI=1S/C11H11N3O4/c15-8-2-1-6(5-7(8)11(17)18)14-10(16)9-12-3-4-13-9/h1-2,5,15H,3-4H2,(H,12,13)(H,14,16)(H,17,18)
InChIKeyAUGHJHTWJMFZKT-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.03
Rot. Bonds3

About 5-(4,5-dihydro-1H-imidazole-2-carbonylamino)-2-hydroxybenzoic acid

5-(4,5-dihydro-1H-imidazole-2-carbonylamino)-2-hydroxybenzoic acid (PubChem CID 91901926) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 5-(4,5-dihydro-1H-imidazole-2-carbonylamino)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(4,5-dihydro-1H-imidazole-2-carbonylamino)-2-hydroxybenzoic acid
PubChem CID91901926
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name5-(4,5-dihydro-1H-imidazole-2-carbonylamino)-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)c(C(=O)O)c1)C1=NCCN1
InChIInChI=1S/C11H11N3O4/c15-8-2-1-6(5-7(8)11(17)18)14-10(16)9-12-3-4-13-9/h1-2,5,15H,3-4H2,(H,12,13)(H,14,16)(H,17,18)
InChIKeyAUGHJHTWJMFZKT-UHFFFAOYSA-N
XLogP0.03
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91901954
N-(3-acetamidophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide
CID 540732
N-(3-fluorophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91900795
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid
CID 16776296
3-(1,4,5,6-tetrahydropyrimidine-2-carbonylamino)benzoic acid
CID 91902040
N-(3,4-dimethylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide
CID 91902044
5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 114343235
N-naphthalen-2-yl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide
CID 91902357
5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107516941
5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 106500152
2-hydroxy-5-[(2-iodobenzoyl)amino]benzoic acid
CID 16773138

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1H-imidazole-2-carbonylamino)-2-hydroxybenzoic acid?
The IUPAC name of 5-(4,5-dihydro-1H-imidazole-2-carbonylamino)-2-hydroxybenzoic acid (CID 91901926) is 5-(4,5-dihydro-1H-imidazole-2-carbonylamino)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(4,5-dihydro-1H-imidazole-2-carbonylamino)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(4,5-dihydro-1H-imidazole-2-carbonylamino)-2-hydroxybenzoic acid is O=C(Nc1ccc(O)c(C(=O)O)c1)C1=NCCN1.
What is the InChIKey of 5-(4,5-dihydro-1H-imidazole-2-carbonylamino)-2-hydroxybenzoic acid?
The InChIKey is AUGHJHTWJMFZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c15-8-2-1-6(5-7(8)11(17)18)14-10(16)9-12-3-4-13-9/h1-2,5,15H,3-4H2,(H,12,13)(H,14,16)(H,17,18).
What are the key properties of 5-(4,5-dihydro-1H-imidazole-2-carbonylamino)-2-hydroxybenzoic acid?
5-(4,5-dihydro-1H-imidazole-2-carbonylamino)-2-hydroxybenzoic acid has a molecular weight of 249.23 g/mol, XLogP of 0.03, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydro-1H-imidazole-2-carbonylamino)-2-hydroxybenzoic acid is sourced from PubChem (CID 91901926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).