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

C14H12N4O4 — CID 143141076

IUPAC3-amino-4,5-dihydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESNc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc(O)c1O
InChIInChI=1S/C14H12N4O4/c15-8-3-6(4-11(19)12(8)20)13(21)16-7-1-2-9-10(5-7)18-14(22)17-9/h1-5,19-20H,15H2,(H,16,21)(H2,17,18,22)
InChIKeyMNEXHDCJFQPWLY-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.10
Rot. Bonds2

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

3-amino-4,5-dihydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (PubChem CID 143141076) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is 3-amino-4,5-dihydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name3-amino-4,5-dihydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
PubChem CID143141076
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC Name3-amino-4,5-dihydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESNc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc(O)c1O
InChIInChI=1S/C14H12N4O4/c15-8-3-6(4-11(19)12(8)20)13(21)16-7-1-2-9-10(5-7)18-14(22)17-9/h1-5,19-20H,15H2,(H,16,21)(H2,17,18,22)
InChIKeyMNEXHDCJFQPWLY-UHFFFAOYSA-N
XLogP1.10
TPSA144.23 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 51.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-4,5-dihydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-4-carboxamide
CID 26663415
6-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-pyridine-3-carboxamide
CID 26017164
3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 9453257
3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 70877699
1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115192410
4-(difluoromethylsulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24560241
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-pyrrol-1-ylbenzamide
CID 26645123
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 26701226
N-(2-aminophenyl)-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide
CID 22478912
4-[(4-methylphenyl)sulfamoyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 26664033
3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 134057140

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dihydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The IUPAC name of 3-amino-4,5-dihydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (CID 143141076) is 3-amino-4,5-dihydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.
What is the SMILES notation for 3-amino-4,5-dihydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The canonical SMILES for 3-amino-4,5-dihydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is Nc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc(O)c1O.
What is the InChIKey of 3-amino-4,5-dihydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The InChIKey is MNEXHDCJFQPWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4/c15-8-3-6(4-11(19)12(8)20)13(21)16-7-1-2-9-10(5-7)18-14(22)17-9/h1-5,19-20H,15H2,(H,16,21)(H2,17,18,22).
What are the key properties of 3-amino-4,5-dihydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
3-amino-4,5-dihydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide has a molecular weight of 300.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dihydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is sourced from PubChem (CID 143141076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).