5-(4,5-dimethylimidazol-1-yl)pentanoic acid

C10H16N2O2 — CID 62351429

IUPAC5-(4,5-dimethylimidazol-1-yl)pentanoic acid
SMILESCc1ncn(CCCCC(=O)O)c1C
InChIInChI=1S/C10H16N2O2/c1-8-9(2)12(7-11-8)6-4-3-5-10(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyQMEZOHXSVYWWLQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.75
Rot. Bonds5

About 5-(4,5-dimethylimidazol-1-yl)pentanoic acid

5-(4,5-dimethylimidazol-1-yl)pentanoic acid (PubChem CID 62351429) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-(4,5-dimethylimidazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(4,5-dimethylimidazol-1-yl)pentanoic acid
PubChem CID62351429
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-(4,5-dimethylimidazol-1-yl)pentanoic acid
SMILESCc1ncn(CCCCC(=O)O)c1C
InChIInChI=1S/C10H16N2O2/c1-8-9(2)12(7-11-8)6-4-3-5-10(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyQMEZOHXSVYWWLQ-UHFFFAOYSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethylimidazol-1-yl)pentanoic acid?
The IUPAC name of 5-(4,5-dimethylimidazol-1-yl)pentanoic acid (CID 62351429) is 5-(4,5-dimethylimidazol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(4,5-dimethylimidazol-1-yl)pentanoic acid?
The canonical SMILES for 5-(4,5-dimethylimidazol-1-yl)pentanoic acid is Cc1ncn(CCCCC(=O)O)c1C.
What is the InChIKey of 5-(4,5-dimethylimidazol-1-yl)pentanoic acid?
The InChIKey is QMEZOHXSVYWWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8-9(2)12(7-11-8)6-4-3-5-10(13)14/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 5-(4,5-dimethylimidazol-1-yl)pentanoic acid?
5-(4,5-dimethylimidazol-1-yl)pentanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethylimidazol-1-yl)pentanoic acid is sourced from PubChem (CID 62351429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).