4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid

C14H18N2O3 — CID 117410283

IUPAC4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid
SMILESCC(C)n1c(=O)[nH]c2cc(CCCC(=O)O)ccc21
InChIInChI=1S/C14H18N2O3/c1-9(2)16-12-7-6-10(4-3-5-13(17)18)8-11(12)15-14(16)19/h6-9H,3-5H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyBLQMIDPIOBIROR-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.32
Rot. Bonds5

About 4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid

4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid (PubChem CID 117410283) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid
PubChem CID117410283
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid
SMILESCC(C)n1c(=O)[nH]c2cc(CCCC(=O)O)ccc21
InChIInChI=1S/C14H18N2O3/c1-9(2)16-12-7-6-10(4-3-5-13(17)18)8-11(12)15-14(16)19/h6-9H,3-5H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyBLQMIDPIOBIROR-UHFFFAOYSA-N
XLogP2.32
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid?
The IUPAC name of 4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid (CID 117410283) is 4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid.
What is the SMILES notation for 4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid?
The canonical SMILES for 4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid is CC(C)n1c(=O)[nH]c2cc(CCCC(=O)O)ccc21.
What is the InChIKey of 4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid?
The InChIKey is BLQMIDPIOBIROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(2)16-12-7-6-10(4-3-5-13(17)18)8-11(12)15-14(16)19/h6-9H,3-5H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid?
4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid has a molecular weight of 262.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid is sourced from PubChem (CID 117410283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).