1-morpholin-4-yl-2-oxo-3H-benzimidazole-5-carboxylic acid

C12H13N3O4 — CID 83017031

IUPAC1-morpholin-4-yl-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[nH]c(=O)n2N1CCOCC1
InChIInChI=1S/C12H13N3O4/c16-11(17)8-1-2-10-9(7-8)13-12(18)15(10)14-3-5-19-6-4-14/h1-2,7H,3-6H2,(H,13,18)(H,16,17)
InChIKeyFDBSCNVVVVVQLT-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.00
Rot. Bonds2

About 1-morpholin-4-yl-2-oxo-3H-benzimidazole-5-carboxylic acid

1-morpholin-4-yl-2-oxo-3H-benzimidazole-5-carboxylic acid (PubChem CID 83017031) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-oxo-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-morpholin-4-yl-2-oxo-3H-benzimidazole-5-carboxylic acid
PubChem CID83017031
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name1-morpholin-4-yl-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[nH]c(=O)n2N1CCOCC1
InChIInChI=1S/C12H13N3O4/c16-11(17)8-1-2-10-9(7-8)13-12(18)15(10)14-3-5-19-6-4-14/h1-2,7H,3-6H2,(H,13,18)(H,16,17)
InChIKeyFDBSCNVVVVVQLT-UHFFFAOYSA-N
XLogP-0.00
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
CID 780757
1-cyclopentyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
CID 3232118
3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid
CID 82784319
ethyl 2-hydroxy-1H-1,3-benzodiazole-6-carboxylate
CID 10465564
1-Methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
CID 14424857
1-benzyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
CID 28398121
2-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
CID 28398123
3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
CID 67151273
3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
CID 82784180
3-cyclopropyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
CID 82784248
3-Acetylamino-4-morpholin-4-yl-benzoic acid
CID 1133624
3-[(2,3-Difluorophenyl)methyl]-1-(2-methoxyethyl)-2-oxobenzimidazole-5-carboxylic acid
CID 50951926

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-oxo-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 1-morpholin-4-yl-2-oxo-3H-benzimidazole-5-carboxylic acid (CID 83017031) is 1-morpholin-4-yl-2-oxo-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-morpholin-4-yl-2-oxo-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-morpholin-4-yl-2-oxo-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)[nH]c(=O)n2N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-oxo-3H-benzimidazole-5-carboxylic acid?
The InChIKey is FDBSCNVVVVVQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-11(17)8-1-2-10-9(7-8)13-12(18)15(10)14-3-5-19-6-4-14/h1-2,7H,3-6H2,(H,13,18)(H,16,17).
What are the key properties of 1-morpholin-4-yl-2-oxo-3H-benzimidazole-5-carboxylic acid?
1-morpholin-4-yl-2-oxo-3H-benzimidazole-5-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-oxo-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 83017031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).