6-morpholin-4-yl-1H-benzimidazole-4-carboxylic acid

C12H13N3O3 — CID 118539723

IUPAC6-morpholin-4-yl-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCOCC2)cc2[nH]cnc12
InChIInChI=1S/C12H13N3O3/c16-12(17)9-5-8(15-1-3-18-4-2-15)6-10-11(9)14-7-13-10/h5-7H,1-4H2,(H,13,14)(H,16,17)
InChIKeyOXKZYFMZRLSWRV-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.10
Rot. Bonds2

About 6-morpholin-4-yl-1H-benzimidazole-4-carboxylic acid

6-morpholin-4-yl-1H-benzimidazole-4-carboxylic acid (PubChem CID 118539723) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-morpholin-4-yl-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-morpholin-4-yl-1H-benzimidazole-4-carboxylic acid
PubChem CID118539723
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name6-morpholin-4-yl-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCOCC2)cc2[nH]cnc12
InChIInChI=1S/C12H13N3O3/c16-12(17)9-5-8(15-1-3-18-4-2-15)6-10-11(9)14-7-13-10/h5-7H,1-4H2,(H,13,14)(H,16,17)
InChIKeyOXKZYFMZRLSWRV-UHFFFAOYSA-N
XLogP1.10
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-morpholin-4-yl-1H-benzimidazole-4-carboxamide
CID 123491353
2,3-dimethyl-5-morpholin-4-ylbenzoic acid
CID 79694761
7-(3-morpholin-4-ylpropoxy)-3H-benzimidazole-5-carboxylic acid
CID 157021072
1H-benzimidazole-4-carboxylic acid
CID 2771758
2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134361760
4-(3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)morpholine
CID 21226741
CID 174020982
CID 174020982
5-amino-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 53213919
2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane
CID 170587481
3-amino-5-morpholin-4-ylbenzoic acid
CID 67513749
2-butoxy-5-morpholin-4-ylbenzoic acid
CID 70668670
5-morpholin-4-ylbenzene-1,3-diol
CID 58923367

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-morpholin-4-yl-1H-benzimidazole-4-carboxylic acid (CID 118539723) is 6-morpholin-4-yl-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-morpholin-4-yl-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-morpholin-4-yl-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cc(N2CCOCC2)cc2[nH]cnc12.
What is the InChIKey of 6-morpholin-4-yl-1H-benzimidazole-4-carboxylic acid?
The InChIKey is OXKZYFMZRLSWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-12(17)9-5-8(15-1-3-18-4-2-15)6-10-11(9)14-7-13-10/h5-7H,1-4H2,(H,13,14)(H,16,17).
What are the key properties of 6-morpholin-4-yl-1H-benzimidazole-4-carboxylic acid?
6-morpholin-4-yl-1H-benzimidazole-4-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 118539723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).