2-(2,4-dihydroxyphenyl)-1,3-dihydrobenzimidazole-2-carboxylic acid

C14H12N2O4 — CID 150501313

IUPAC2-(2,4-dihydroxyphenyl)-1,3-dihydrobenzimidazole-2-carboxylic acid
SMILESO=C(O)C1(c2ccc(O)cc2O)Nc2ccccc2N1
InChIInChI=1S/C14H12N2O4/c17-8-5-6-9(12(18)7-8)14(13(19)20)15-10-3-1-2-4-11(10)16-14/h1-7,15-18H,(H,19,20)
InChIKeyHXWLAZGKPNWKPJ-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.87
Rot. Bonds2

About 2-(2,4-dihydroxyphenyl)-1,3-dihydrobenzimidazole-2-carboxylic acid

2-(2,4-dihydroxyphenyl)-1,3-dihydrobenzimidazole-2-carboxylic acid (PubChem CID 150501313) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-(2,4-dihydroxyphenyl)-1,3-dihydrobenzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dihydroxyphenyl)-1,3-dihydrobenzimidazole-2-carboxylic acid
PubChem CID150501313
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-(2,4-dihydroxyphenyl)-1,3-dihydrobenzimidazole-2-carboxylic acid
SMILESO=C(O)C1(c2ccc(O)cc2O)Nc2ccccc2N1
InChIInChI=1S/C14H12N2O4/c17-8-5-6-9(12(18)7-8)14(13(19)20)15-10-3-1-2-4-11(10)16-14/h1-7,15-18H,(H,19,20)
InChIKeyHXWLAZGKPNWKPJ-UHFFFAOYSA-N
XLogP1.87
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid
CID 68790453
benzene-1,2,4-triol;benzoic acid
CID 161265651
7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid
CID 117193469
bis(benzene-1,4-diol);carbonic acid
CID 68999082
3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one
CID 165341869
2,4-dihydroxybenzoic acid
CID 1491
4-(1-hydroxycyclopentyl)benzene-1,3-diol
CID 117104157
formaldehyde;4-phenylbenzene-1,3-diol
CID 174408267
2-(2,4-dihydroxyphenyl)-1-phenylethanone
CID 15669269
3-hydroxy-2-phenyl-1H-quinoline-2-carboxylic acid
CID 67702787
2-(2,5-dihydroxyanilino)-2-oxoacetic acid
CID 154478317
3,3-bis(2-hydroxyphenyl)cyclobutane-1,1-dicarboxylic acid
CID 139936621

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxyphenyl)-1,3-dihydrobenzimidazole-2-carboxylic acid?
The IUPAC name of 2-(2,4-dihydroxyphenyl)-1,3-dihydrobenzimidazole-2-carboxylic acid (CID 150501313) is 2-(2,4-dihydroxyphenyl)-1,3-dihydrobenzimidazole-2-carboxylic acid.
What is the SMILES notation for 2-(2,4-dihydroxyphenyl)-1,3-dihydrobenzimidazole-2-carboxylic acid?
The canonical SMILES for 2-(2,4-dihydroxyphenyl)-1,3-dihydrobenzimidazole-2-carboxylic acid is O=C(O)C1(c2ccc(O)cc2O)Nc2ccccc2N1.
What is the InChIKey of 2-(2,4-dihydroxyphenyl)-1,3-dihydrobenzimidazole-2-carboxylic acid?
The InChIKey is HXWLAZGKPNWKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-8-5-6-9(12(18)7-8)14(13(19)20)15-10-3-1-2-4-11(10)16-14/h1-7,15-18H,(H,19,20).
What are the key properties of 2-(2,4-dihydroxyphenyl)-1,3-dihydrobenzimidazole-2-carboxylic acid?
2-(2,4-dihydroxyphenyl)-1,3-dihydrobenzimidazole-2-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxyphenyl)-1,3-dihydrobenzimidazole-2-carboxylic acid is sourced from PubChem (CID 150501313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).