4-(1,4-dimethylimidazol-2-yl)butanoic acid

C9H14N2O2 — CID 84658537

IUPAC4-(1,4-dimethylimidazol-2-yl)butanoic acid
SMILESCc1cn(C)c(CCCC(=O)O)n1
InChIInChI=1S/C9H14N2O2/c1-7-6-11(2)8(10-7)4-3-5-9(12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyYBQXKEHSYOZECO-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.14
Rot. Bonds4

About 4-(1,4-dimethylimidazol-2-yl)butanoic acid

4-(1,4-dimethylimidazol-2-yl)butanoic acid (PubChem CID 84658537) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(1,4-dimethylimidazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(1,4-dimethylimidazol-2-yl)butanoic acid
PubChem CID84658537
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-(1,4-dimethylimidazol-2-yl)butanoic acid
SMILESCc1cn(C)c(CCCC(=O)O)n1
InChIInChI=1S/C9H14N2O2/c1-7-6-11(2)8(10-7)4-3-5-9(12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyYBQXKEHSYOZECO-UHFFFAOYSA-N
XLogP1.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-cyclopentyl-1-methylimidazol-2-yl)butanoic acid
CID 84699542
3-(1,4-dimethylimidazol-2-yl)-N-methylpropanamide;ethane
CID 171550592
4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
CID 175058190
4-(4,5-dimethyl-1,2,4-triazol-3-yl)butanoic acid
CID 50988979
10-(1-methylimidazol-2-yl)decanoic acid
CID 69479217
4-(6-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid
CID 84740194
4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butanoic acid
CID 62734691
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
acetic acid;1,2,4-trimethylimidazole
CID 174938383
1-(1,4-dimethylimidazol-2-yl)-N-[(1,4-dimethylimidazol-2-yl)methyl]methanamine
CID 130303673
4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid
CID 83886143
4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid
CID 54920192

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethylimidazol-2-yl)butanoic acid?
The IUPAC name of 4-(1,4-dimethylimidazol-2-yl)butanoic acid (CID 84658537) is 4-(1,4-dimethylimidazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(1,4-dimethylimidazol-2-yl)butanoic acid?
The canonical SMILES for 4-(1,4-dimethylimidazol-2-yl)butanoic acid is Cc1cn(C)c(CCCC(=O)O)n1.
What is the InChIKey of 4-(1,4-dimethylimidazol-2-yl)butanoic acid?
The InChIKey is YBQXKEHSYOZECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-6-11(2)8(10-7)4-3-5-9(12)13/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-(1,4-dimethylimidazol-2-yl)butanoic acid?
4-(1,4-dimethylimidazol-2-yl)butanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dimethylimidazol-2-yl)butanoic acid is sourced from PubChem (CID 84658537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).