1-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid

C14H17N3O4 — CID 115541257

IUPAC1-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1[nH]c(=O)n2CCN1CCOCC1
InChIInChI=1S/C14H17N3O4/c18-13(19)10-2-1-3-11-12(10)15-14(20)17(11)5-4-16-6-8-21-9-7-16/h1-3H,4-9H2,(H,15,20)(H,18,19)
InChIKeyXLXDJRYOMYUKHN-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.36
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid

1-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid (PubChem CID 115541257) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
PubChem CID115541257
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name1-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1[nH]c(=O)n2CCN1CCOCC1
InChIInChI=1S/C14H17N3O4/c18-13(19)10-2-1-3-11-12(10)15-14(20)17(11)5-4-16-6-8-21-9-7-16/h1-3H,4-9H2,(H,15,20)(H,18,19)
InChIKeyXLXDJRYOMYUKHN-UHFFFAOYSA-N
XLogP0.36
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid 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

1-(1,4-dioxan-2-ylmethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541349
3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one
CID 807407
2-oxo-1-(2-pyridin-4-ylethyl)-3H-benzimidazole-4-carboxylic acid
CID 115541342
2-oxo-1-(2-propan-2-yloxyethyl)-3H-benzimidazole-4-carboxylic acid
CID 113450353
1-(2,2-dicyclopropylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541544
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541462
2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid
CID 115542771
1-[(4-bromophenyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541216
2-oxo-1-(pyridin-2-ylmethyl)-3H-benzimidazole-4-carboxylic acid
CID 115541256
1-(3-methoxy-2-methylpropyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541438
2-oxo-1-pentan-3-yl-3H-benzimidazole-4-carboxylic acid
CID 113331878
3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117206950

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid (CID 115541257) is 1-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2c1[nH]c(=O)n2CCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid?
The InChIKey is XLXDJRYOMYUKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c18-13(19)10-2-1-3-11-12(10)15-14(20)17(11)5-4-16-6-8-21-9-7-16/h1-3H,4-9H2,(H,15,20)(H,18,19).
What are the key properties of 1-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid?
1-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115541257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).