2-(3-tetradecyl-2H-imidazol-1-yl)acetic acid;hydrochloride

C19H37ClN2O2 — CID 175504488

IUPAC2-(3-tetradecyl-2H-imidazol-1-yl)acetic acid;hydrochloride
SMILESCCCCCCCCCCCCCCN1C=CN(CC(=O)O)C1.Cl
InChIInChI=1S/C19H36N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-16-21(18-20)17-19(22)23;/h15-16H,2-14,17-18H2,1H3,(H,22,23);1H
InChIKeyVQTUVUIMRKIYMF-UHFFFAOYSA-N
MW360.97 g/mol
LogP5.24
Rot. Bonds15

About 2-(3-tetradecyl-2H-imidazol-1-yl)acetic acid;hydrochloride

2-(3-tetradecyl-2H-imidazol-1-yl)acetic acid;hydrochloride (PubChem CID 175504488) has the molecular formula C19H37ClN2O2 and a molecular weight of 360.97 g/mol. Its IUPAC name is 2-(3-tetradecyl-2H-imidazol-1-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-tetradecyl-2H-imidazol-1-yl)acetic acid;hydrochloride
PubChem CID175504488
Molecular FormulaC19H37ClN2O2
Molecular Weight360.97 g/mol
Exact Mass360.25
IUPAC Name2-(3-tetradecyl-2H-imidazol-1-yl)acetic acid;hydrochloride
SMILESCCCCCCCCCCCCCCN1C=CN(CC(=O)O)C1.Cl
InChIInChI=1S/C19H36N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-16-21(18-20)17-19(22)23;/h15-16H,2-14,17-18H2,1H3,(H,22,23);1H
InChIKeyVQTUVUIMRKIYMF-UHFFFAOYSA-N
XLogP5.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.97
LogP ≤ 55.24
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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Related Compounds

1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1,3-di(nonyl)-2H-imidazole
CID 69395396
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514
acetic acid;1,3-dibutyl-2H-imidazole
CID 174955065
1-pentyl-3-propyl-2H-imidazole;hydrochloride
CID 173025272
1-decyl-3-ethyl-2H-imidazole
CID 19864130

Frequently Asked Questions

What is the IUPAC name of 2-(3-tetradecyl-2H-imidazol-1-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(3-tetradecyl-2H-imidazol-1-yl)acetic acid;hydrochloride (CID 175504488) is 2-(3-tetradecyl-2H-imidazol-1-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(3-tetradecyl-2H-imidazol-1-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(3-tetradecyl-2H-imidazol-1-yl)acetic acid;hydrochloride is CCCCCCCCCCCCCCN1C=CN(CC(=O)O)C1.Cl.
What is the InChIKey of 2-(3-tetradecyl-2H-imidazol-1-yl)acetic acid;hydrochloride?
The InChIKey is VQTUVUIMRKIYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-16-21(18-20)17-19(22)23;/h15-16H,2-14,17-18H2,1H3,(H,22,23);1H.
What are the key properties of 2-(3-tetradecyl-2H-imidazol-1-yl)acetic acid;hydrochloride?
2-(3-tetradecyl-2H-imidazol-1-yl)acetic acid;hydrochloride has a molecular weight of 360.97 g/mol, XLogP of 5.24, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tetradecyl-2H-imidazol-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 175504488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).