2-(2-oxo-3-propylbenzimidazol-1-yl)acetic acid

C12H14N2O3 — CID 7131917

IUPAC2-(2-oxo-3-propylbenzimidazol-1-yl)acetic acid
SMILESCCCn1c(=O)n(CC(=O)O)c2ccccc21
InChIInChI=1S/C12H14N2O3/c1-2-7-13-9-5-3-4-6-10(9)14(12(13)17)8-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKeyVISFDJKXMSXFIR-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.30
Rot. Bonds4

About 2-(2-oxo-3-propylbenzimidazol-1-yl)acetic acid

2-(2-oxo-3-propylbenzimidazol-1-yl)acetic acid (PubChem CID 7131917) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(2-oxo-3-propylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-3-propylbenzimidazol-1-yl)acetic acid
PubChem CID7131917
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(2-oxo-3-propylbenzimidazol-1-yl)acetic acid
SMILESCCCn1c(=O)n(CC(=O)O)c2ccccc21
InChIInChI=1S/C12H14N2O3/c1-2-7-13-9-5-3-4-6-10(9)14(12(13)17)8-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKeyVISFDJKXMSXFIR-UHFFFAOYSA-N
XLogP1.30
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3-propylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-oxo-3-propylbenzimidazol-1-yl)acetic acid (CID 7131917) is 2-(2-oxo-3-propylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-3-propylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-3-propylbenzimidazol-1-yl)acetic acid is CCCn1c(=O)n(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-(2-oxo-3-propylbenzimidazol-1-yl)acetic acid?
The InChIKey is VISFDJKXMSXFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-7-13-9-5-3-4-6-10(9)14(12(13)17)8-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16).
What are the key properties of 2-(2-oxo-3-propylbenzimidazol-1-yl)acetic acid?
2-(2-oxo-3-propylbenzimidazol-1-yl)acetic acid has a molecular weight of 234.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-propylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 7131917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).