2-(2,5-dimethyl-1H-imidazol-4-yl)butanoic acid

C9H14N2O2 — CID 82407763

IUPAC2-(2,5-dimethyl-1H-imidazol-4-yl)butanoic acid
SMILESCCC(C(=O)O)c1nc(C)[nH]c1C
InChIInChI=1S/C9H14N2O2/c1-4-7(9(12)13)8-5(2)10-6(3)11-8/h7H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyRQBLRIGWWIVYIT-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.60
Rot. Bonds3

About 2-(2,5-dimethyl-1H-imidazol-4-yl)butanoic acid

2-(2,5-dimethyl-1H-imidazol-4-yl)butanoic acid (PubChem CID 82407763) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1H-imidazol-4-yl)butanoic acid.

Molecular Properties

Compound Name2-(2,5-dimethyl-1H-imidazol-4-yl)butanoic acid
PubChem CID82407763
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(2,5-dimethyl-1H-imidazol-4-yl)butanoic acid
SMILESCCC(C(=O)O)c1nc(C)[nH]c1C
InChIInChI=1S/C9H14N2O2/c1-4-7(9(12)13)8-5(2)10-6(3)11-8/h7H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyRQBLRIGWWIVYIT-UHFFFAOYSA-N
XLogP1.60
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1H-imidazol-4-yl)butanoic acid?
The IUPAC name of 2-(2,5-dimethyl-1H-imidazol-4-yl)butanoic acid (CID 82407763) is 2-(2,5-dimethyl-1H-imidazol-4-yl)butanoic acid.
What is the SMILES notation for 2-(2,5-dimethyl-1H-imidazol-4-yl)butanoic acid?
The canonical SMILES for 2-(2,5-dimethyl-1H-imidazol-4-yl)butanoic acid is CCC(C(=O)O)c1nc(C)[nH]c1C.
What is the InChIKey of 2-(2,5-dimethyl-1H-imidazol-4-yl)butanoic acid?
The InChIKey is RQBLRIGWWIVYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-7(9(12)13)8-5(2)10-6(3)11-8/h7H,4H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 2-(2,5-dimethyl-1H-imidazol-4-yl)butanoic acid?
2-(2,5-dimethyl-1H-imidazol-4-yl)butanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1H-imidazol-4-yl)butanoic acid is sourced from PubChem (CID 82407763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).