3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid

C11H12N2O3 — CID 595402

IUPAC3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid
SMILESCC(CC(=O)O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H12N2O3/c1-6(4-10(14)15)7-2-3-8-9(5-7)13-11(16)12-8/h2-3,5-6H,4H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyCAWJUMGKCKILOK-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.43
Rot. Bonds3

About 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid

3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid (PubChem CID 595402) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid.

Molecular Properties

Compound Name3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid
PubChem CID595402
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid
SMILESCC(CC(=O)O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H12N2O3/c1-6(4-10(14)15)7-2-3-8-9(5-7)13-11(16)12-8/h2-3,5-6H,4H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyCAWJUMGKCKILOK-UHFFFAOYSA-N
XLogP1.43
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid?
The IUPAC name of 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid (CID 595402) is 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid.
What is the SMILES notation for 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid?
The canonical SMILES for 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid is CC(CC(=O)O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid?
The InChIKey is CAWJUMGKCKILOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-6(4-10(14)15)7-2-3-8-9(5-7)13-11(16)12-8/h2-3,5-6H,4H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid?
3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid has a molecular weight of 220.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid is sourced from PubChem (CID 595402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).