4-(5-methyl-1H-imidazol-4-yl)butanoic acid

C8H12N2O2 — CID 565590

IUPAC4-(5-methyl-1H-imidazol-4-yl)butanoic acid
SMILESCc1[nH]cnc1CCCC(=O)O
InChIInChI=1S/C8H12N2O2/c1-6-7(10-5-9-6)3-2-4-8(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyODXHCOWSHYLARQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.13
Rot. Bonds4

About 4-(5-methyl-1H-imidazol-4-yl)butanoic acid

4-(5-methyl-1H-imidazol-4-yl)butanoic acid (PubChem CID 565590) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-(5-methyl-1H-imidazol-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-methyl-1H-imidazol-4-yl)butanoic acid
PubChem CID565590
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-(5-methyl-1H-imidazol-4-yl)butanoic acid
SMILESCc1[nH]cnc1CCCC(=O)O
InChIInChI=1S/C8H12N2O2/c1-6-7(10-5-9-6)3-2-4-8(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyODXHCOWSHYLARQ-UHFFFAOYSA-N
XLogP1.13
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-methyl-1H-imidazol-4-yl)propanoyl chloride
CID 87226527
2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid
CID 19766364
3-(5-methyl-1H-imidazol-4-yl)-1-phenylpropan-1-one
CID 14987249
4-heptyl-5-methyl-1H-imidazole
CID 89069470
4-(2-methoxyethyl)-5-methyl-1H-imidazole
CID 173053461
4-amino-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]butanamide
CID 123914441
5-methyl-4-(2-tritiooxyethyl)-1H-imidazole
CID 59099593
but-2-enedioic acid;1-(3,5-dimethylphenyl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one
CID 67900363
3-cyclopentyl-N-[3-(5-methyl-1H-imidazol-4-yl)propyl]propanamide
CID 10332981
2-methyl-4-(5-methyl-1H-imidazol-4-yl)but-2-enoic acid
CID 70182140
4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid
CID 70628772
4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole
CID 59099630

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-imidazol-4-yl)butanoic acid?
The IUPAC name of 4-(5-methyl-1H-imidazol-4-yl)butanoic acid (CID 565590) is 4-(5-methyl-1H-imidazol-4-yl)butanoic acid.
What is the SMILES notation for 4-(5-methyl-1H-imidazol-4-yl)butanoic acid?
The canonical SMILES for 4-(5-methyl-1H-imidazol-4-yl)butanoic acid is Cc1[nH]cnc1CCCC(=O)O.
What is the InChIKey of 4-(5-methyl-1H-imidazol-4-yl)butanoic acid?
The InChIKey is ODXHCOWSHYLARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-7(10-5-9-6)3-2-4-8(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 4-(5-methyl-1H-imidazol-4-yl)butanoic acid?
4-(5-methyl-1H-imidazol-4-yl)butanoic acid has a molecular weight of 168.20 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-imidazol-4-yl)butanoic acid is sourced from PubChem (CID 565590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).