4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid

C11H12N2O3 — CID 28744232

IUPAC4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid
SMILESO=C(O)CCCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H12N2O3/c14-10(15)3-1-2-7-4-5-8-9(6-7)13-11(16)12-8/h4-6H,1-3H2,(H,14,15)(H2,12,13,16)
InChIKeyXNEGUTSSQSNXMQ-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.26
Rot. Bonds4

About 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid

4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid (PubChem CID 28744232) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid
PubChem CID28744232
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid
SMILESO=C(O)CCCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H12N2O3/c14-10(15)3-1-2-7-4-5-8-9(6-7)13-11(16)12-8/h4-6H,1-3H2,(H,14,15)(H2,12,13,16)
InChIKeyXNEGUTSSQSNXMQ-UHFFFAOYSA-N
XLogP1.26
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid?
The IUPAC name of 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid (CID 28744232) is 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid.
What is the SMILES notation for 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid?
The canonical SMILES for 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid is O=C(O)CCCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid?
The InChIKey is XNEGUTSSQSNXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-10(15)3-1-2-7-4-5-8-9(6-7)13-11(16)12-8/h4-6H,1-3H2,(H,14,15)(H2,12,13,16).
What are the key properties of 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid?
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid has a molecular weight of 220.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid is sourced from PubChem (CID 28744232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).