3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid

C11H11N3O3 — CID 112577165

IUPAC3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid
SMILESNC(=O)CCn1cnc2cccc(C(=O)O)c21
InChIInChI=1S/C11H11N3O3/c12-9(15)4-5-14-6-13-8-3-1-2-7(10(8)14)11(16)17/h1-3,6H,4-5H2,(H2,12,15)(H,16,17)
InChIKeyYHJTYQCYVLTLIS-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.61
Rot. Bonds4

About 3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid

3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid (PubChem CID 112577165) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid
PubChem CID112577165
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid
SMILESNC(=O)CCn1cnc2cccc(C(=O)O)c21
InChIInChI=1S/C11H11N3O3/c12-9(15)4-5-14-6-13-8-3-1-2-7(10(8)14)11(16)17/h1-3,6H,4-5H2,(H2,12,15)(H,16,17)
InChIKeyYHJTYQCYVLTLIS-UHFFFAOYSA-N
XLogP0.61
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-amino-3-oxopropyl)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

3-propylbenzimidazole-4-carboxylic acid
CID 82647147
3-[3-(methylamino)-3-oxopropyl]benzimidazole-4-carboxylic acid
CID 112577230
3-(6-hydroxyhexyl)benzimidazole-4-carboxylic acid
CID 114008925
3-(3-methylbutyl)benzimidazole-4-carboxylic acid
CID 112577077
3-benzylbenzimidazole-4-carboxylic acid
CID 83413316
3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-carboxylic acid
CID 106339628
3-(4-imidazol-1-ylbutyl)benzimidazole-4-carboxylic acid
CID 115933215
3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid
CID 115932984
3-[(4-chlorophenyl)methyl]benzimidazole-4-carboxylic acid
CID 115932612
3-[(1-methylpyrazol-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 112577417
3-(2,2-difluoro-3-hydroxypropyl)benzimidazole-4-carboxylic acid
CID 106176228
3-(3-amino-3-oxopropyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid
CID 115932940

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid (CID 112577165) is 3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid is NC(=O)CCn1cnc2cccc(C(=O)O)c21.
What is the InChIKey of 3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid?
The InChIKey is YHJTYQCYVLTLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-9(15)4-5-14-6-13-8-3-1-2-7(10(8)14)11(16)17/h1-3,6H,4-5H2,(H2,12,15)(H,16,17).
What are the key properties of 3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid?
3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 112577165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).