3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

C15H13N3O4 — CID 70877699

IUPAC3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESCc1c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)ccc(O)c1O
InChIInChI=1S/C15H13N3O4/c1-7-9(3-5-12(19)13(7)20)14(21)16-8-2-4-10-11(6-8)18-15(22)17-10/h2-6,19-20H,1H3,(H,16,21)(H2,17,18,22)
InChIKeyMZDDWHIWJVTSTN-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.83
Rot. Bonds2

About 3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (PubChem CID 70877699) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
PubChem CID70877699
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESCc1c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)ccc(O)c1O
InChIInChI=1S/C15H13N3O4/c1-7-9(3-5-12(19)13(7)20)14(21)16-8-2-4-10-11(6-8)18-15(22)17-10/h2-6,19-20H,1H3,(H,16,21)(H2,17,18,22)
InChIKeyMZDDWHIWJVTSTN-UHFFFAOYSA-N
XLogP1.83
TPSA118.21 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 35624437
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
6-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-2-carboxamide
CID 32544873
3-amino-4,5-dihydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 143141076
2-chloro-5-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 78769975
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide
CID 26017452
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-4-carboxamide
CID 26663415
5-[(1Z)-buta-1,3-dienyl]-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide
CID 167203151
5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 34749980
3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 9453257
2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24624741
2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide
CID 936375

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The IUPAC name of 3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (CID 70877699) is 3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.
What is the SMILES notation for 3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The canonical SMILES for 3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is Cc1c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)ccc(O)c1O.
What is the InChIKey of 3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The InChIKey is MZDDWHIWJVTSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-7-9(3-5-12(19)13(7)20)14(21)16-8-2-4-10-11(6-8)18-15(22)17-10/h2-6,19-20H,1H3,(H,16,21)(H2,17,18,22).
What are the key properties of 3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide has a molecular weight of 299.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is sourced from PubChem (CID 70877699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).