(1-methyl-3-octyl-2H-imidazol-2-yl) 2-hydroxypropanoate

C15H28N2O3 — CID 66995266

IUPAC(1-methyl-3-octyl-2H-imidazol-2-yl) 2-hydroxypropanoate
SMILESCCCCCCCCN1C=CN(C)C1OC(=O)C(C)O
InChIInChI=1S/C15H28N2O3/c1-4-5-6-7-8-9-10-17-12-11-16(3)15(17)20-14(19)13(2)18/h11-13,15,18H,4-10H2,1-3H3
InChIKeyLAHBDTSGRGIYKV-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.27
Rot. Bonds9

About (1-methyl-3-octyl-2H-imidazol-2-yl) 2-hydroxypropanoate

(1-methyl-3-octyl-2H-imidazol-2-yl) 2-hydroxypropanoate (PubChem CID 66995266) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (1-methyl-3-octyl-2H-imidazol-2-yl) 2-hydroxypropanoate.

Molecular Properties

Compound Name(1-methyl-3-octyl-2H-imidazol-2-yl) 2-hydroxypropanoate
PubChem CID66995266
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(1-methyl-3-octyl-2H-imidazol-2-yl) 2-hydroxypropanoate
SMILESCCCCCCCCN1C=CN(C)C1OC(=O)C(C)O
InChIInChI=1S/C15H28N2O3/c1-4-5-6-7-8-9-10-17-12-11-16(3)15(17)20-14(19)13(2)18/h11-13,15,18H,4-10H2,1-3H3
InChIKeyLAHBDTSGRGIYKV-UHFFFAOYSA-N
XLogP2.27
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-ethyl-3-methyl-2H-imidazol-2-yl) 2-hydroxypropanoate
CID 66994781
(1-hexyl-3-methyl-2H-imidazol-2-yl) ethanesulfonate
CID 87367195
bis(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,3-dihydroxybutanedioate
CID 68743808
(1-butyl-3-methyl-2H-imidazol-2-yl) hydrogen sulfate
CID 154000237
1-methyl-3-nonyl-2H-imidazol-2-amine
CID 174918216
1-hexyl-3-methyl-2H-imidazol-2-ol
CID 175378388
diethyl (1-methyl-3-pentyl-2H-imidazol-2-yl) phosphate
CID 71269102
1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole
CID 69395424
1-dodecyl-3-octyl-2-propan-2-yl-2H-imidazole
CID 69391159
1-nonyl-3-pentyl-2-propan-2-yl-2H-imidazole
CID 69397364
1-dodecyl-3-heptyl-2-propan-2-yl-2H-imidazole
CID 69393125
1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole
CID 69387857

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-octyl-2H-imidazol-2-yl) 2-hydroxypropanoate?
The IUPAC name of (1-methyl-3-octyl-2H-imidazol-2-yl) 2-hydroxypropanoate (CID 66995266) is (1-methyl-3-octyl-2H-imidazol-2-yl) 2-hydroxypropanoate.
What is the SMILES notation for (1-methyl-3-octyl-2H-imidazol-2-yl) 2-hydroxypropanoate?
The canonical SMILES for (1-methyl-3-octyl-2H-imidazol-2-yl) 2-hydroxypropanoate is CCCCCCCCN1C=CN(C)C1OC(=O)C(C)O.
What is the InChIKey of (1-methyl-3-octyl-2H-imidazol-2-yl) 2-hydroxypropanoate?
The InChIKey is LAHBDTSGRGIYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-5-6-7-8-9-10-17-12-11-16(3)15(17)20-14(19)13(2)18/h11-13,15,18H,4-10H2,1-3H3.
What are the key properties of (1-methyl-3-octyl-2H-imidazol-2-yl) 2-hydroxypropanoate?
(1-methyl-3-octyl-2H-imidazol-2-yl) 2-hydroxypropanoate has a molecular weight of 284.40 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-octyl-2H-imidazol-2-yl) 2-hydroxypropanoate is sourced from PubChem (CID 66995266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).