2-[3-(2,5-dimethylimidazol-1-yl)propoxy]acetic acid;hydrochloride

C10H17ClN2O3 — CID 19766439

IUPAC2-[3-(2,5-dimethylimidazol-1-yl)propoxy]acetic acid;hydrochloride
SMILESCc1cnc(C)n1CCCOCC(=O)O.Cl
InChIInChI=1S/C10H16N2O3.ClH/c1-8-6-11-9(2)12(8)4-3-5-15-7-10(13)14;/h6H,3-5,7H2,1-2H3,(H,13,14);1H
InChIKeyYDTNPIGBQCYOFU-UHFFFAOYSA-N
MW248.71 g/mol
LogP1.41
Rot. Bonds6

About 2-[3-(2,5-dimethylimidazol-1-yl)propoxy]acetic acid;hydrochloride

2-[3-(2,5-dimethylimidazol-1-yl)propoxy]acetic acid;hydrochloride (PubChem CID 19766439) has the molecular formula C10H17ClN2O3 and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-[3-(2,5-dimethylimidazol-1-yl)propoxy]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[3-(2,5-dimethylimidazol-1-yl)propoxy]acetic acid;hydrochloride
PubChem CID19766439
Molecular FormulaC10H17ClN2O3
Molecular Weight248.71 g/mol
Exact Mass248.09
IUPAC Name2-[3-(2,5-dimethylimidazol-1-yl)propoxy]acetic acid;hydrochloride
SMILESCc1cnc(C)n1CCCOCC(=O)O.Cl
InChIInChI=1S/C10H16N2O3.ClH/c1-8-6-11-9(2)12(8)4-3-5-15-7-10(13)14;/h6H,3-5,7H2,1-2H3,(H,13,14);1H
InChIKeyYDTNPIGBQCYOFU-UHFFFAOYSA-N
XLogP1.41
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[3-(2,5-dimethylimidazol-1-yl)propoxy]acetic acid;hydrochloride?
The IUPAC name of 2-[3-(2,5-dimethylimidazol-1-yl)propoxy]acetic acid;hydrochloride (CID 19766439) is 2-[3-(2,5-dimethylimidazol-1-yl)propoxy]acetic acid;hydrochloride.
What is the SMILES notation for 2-[3-(2,5-dimethylimidazol-1-yl)propoxy]acetic acid;hydrochloride?
The canonical SMILES for 2-[3-(2,5-dimethylimidazol-1-yl)propoxy]acetic acid;hydrochloride is Cc1cnc(C)n1CCCOCC(=O)O.Cl.
What is the InChIKey of 2-[3-(2,5-dimethylimidazol-1-yl)propoxy]acetic acid;hydrochloride?
The InChIKey is YDTNPIGBQCYOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3.ClH/c1-8-6-11-9(2)12(8)4-3-5-15-7-10(13)14;/h6H,3-5,7H2,1-2H3,(H,13,14);1H.
What are the key properties of 2-[3-(2,5-dimethylimidazol-1-yl)propoxy]acetic acid;hydrochloride?
2-[3-(2,5-dimethylimidazol-1-yl)propoxy]acetic acid;hydrochloride has a molecular weight of 248.71 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethylimidazol-1-yl)propoxy]acetic acid;hydrochloride is sourced from PubChem (CID 19766439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).