4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid

C11H12N2O3 — CID 13251784

IUPAC4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid
SMILESO=C(O)CCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C11H12N2O3/c14-10(15)6-3-7-13-9-5-2-1-4-8(9)12-11(13)16/h1-2,4-5H,3,6-7H2,(H,12,16)(H,14,15)
InChIKeyPTNUQSFEJXMNOQ-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.19
Rot. Bonds4

About 4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid

4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid (PubChem CID 13251784) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid
PubChem CID13251784
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid
SMILESO=C(O)CCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C11H12N2O3/c14-10(15)6-3-7-13-9-5-2-1-4-8(9)12-11(13)16/h1-2,4-5H,3,6-7H2,(H,12,16)(H,14,15)
InChIKeyPTNUQSFEJXMNOQ-UHFFFAOYSA-N
XLogP1.19
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ebio
CID 82320
4-Imidazolidineacetic acid, 2,5-dioxo-1-phenyl-
CID 2913270
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
1H-Benzimidazole-1-propanoic acid, 2,3-dihydro-2-oxo-
CID 156358
2-(3-(carboxymethyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetic acid
CID 228472
1-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one
CID 1653580
3-[3-(2-carboxyethyl)-2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazol-1-yl]propanoic acid
CID 677363
NS 521 oxalate
CID 9907039
2,3-Dihydro-3-methyl-2-oxo-1H-benzimidazole-1-propanoic acid
CID 661355
2-(3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetic acid
CID 773560
1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 590540
1-butyl-1,3-dihydro-2H-benzimidazol-2-one
CID 1734838

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid?
The IUPAC name of 4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid (CID 13251784) is 4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid.
What is the SMILES notation for 4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid?
The canonical SMILES for 4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid is O=C(O)CCCn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid?
The InChIKey is PTNUQSFEJXMNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-10(15)6-3-7-13-9-5-2-1-4-8(9)12-11(13)16/h1-2,4-5H,3,6-7H2,(H,12,16)(H,14,15).
What are the key properties of 4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid?
4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid has a molecular weight of 220.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid is sourced from PubChem (CID 13251784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).