1-morpholin-4-ylbenzimidazole-5-carboxylic acid

C12H13N3O3 — CID 83019703

IUPAC1-morpholin-4-ylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2N1CCOCC1
InChIInChI=1S/C12H13N3O3/c16-12(17)9-1-2-11-10(7-9)13-8-15(11)14-3-5-18-6-4-14/h1-2,7-8H,3-6H2,(H,16,17)
InChIKeyOSMSTNWTBMFHFN-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.70
Rot. Bonds2

About 1-morpholin-4-ylbenzimidazole-5-carboxylic acid

1-morpholin-4-ylbenzimidazole-5-carboxylic acid (PubChem CID 83019703) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-morpholin-4-ylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-morpholin-4-ylbenzimidazole-5-carboxylic acid
PubChem CID83019703
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name1-morpholin-4-ylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2N1CCOCC1
InChIInChI=1S/C12H13N3O3/c16-12(17)9-1-2-11-10(7-9)13-8-15(11)14-3-5-18-6-4-14/h1-2,7-8H,3-6H2,(H,16,17)
InChIKeyOSMSTNWTBMFHFN-UHFFFAOYSA-N
XLogP0.70
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-morpholin-4-ylbenzimidazole-5-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-(3,6-dihydro-2H-pyran-4-yl)benzimidazole-5-carboxylic acid
CID 130229154
3-(oxolan-3-yl)benzimidazole-5-carboxylic acid
CID 82790331
3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carboxylic acid
CID 82773676
1-(oxan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 54942703
4-morpholin-4-ylquinazoline-7-carboxylic acid
CID 1414121
1-morpholin-4-yl-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 83017031
1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967724
1-(2,6-dichloro-4-fluorophenyl)benzimidazole-5-carboxylic acid
CID 83078714
1-butan-2-ylbenzimidazole-5-carboxylic acid
CID 43566656
1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzimidazole-5-carboxamide
CID 18504887
3-(oxetan-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 151354727
1-(3-aminopropyl)benzimidazole-5-carboxylic acid
CID 83413091

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-morpholin-4-ylbenzimidazole-5-carboxylic acid (CID 83019703) is 1-morpholin-4-ylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-morpholin-4-ylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-morpholin-4-ylbenzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)ncn2N1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylbenzimidazole-5-carboxylic acid?
The InChIKey is OSMSTNWTBMFHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-12(17)9-1-2-11-10(7-9)13-8-15(11)14-3-5-18-6-4-14/h1-2,7-8H,3-6H2,(H,16,17).
What are the key properties of 1-morpholin-4-ylbenzimidazole-5-carboxylic acid?
1-morpholin-4-ylbenzimidazole-5-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 83019703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).