(1-butyl-3-methyl-2H-imidazol-2-yl) pentanoate

C13H24N2O2 — CID 66688588

IUPAC(1-butyl-3-methyl-2H-imidazol-2-yl) pentanoate
SMILESCCCCC(=O)OC1N(C)C=CN1CCCC
InChIInChI=1S/C13H24N2O2/c1-4-6-8-12(16)17-13-14(3)10-11-15(13)9-7-5-2/h10-11,13H,4-9H2,1-3H3
InChIKeyIOWQBKIRQQSFMX-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.52
Rot. Bonds7

About (1-butyl-3-methyl-2H-imidazol-2-yl) pentanoate

(1-butyl-3-methyl-2H-imidazol-2-yl) pentanoate (PubChem CID 66688588) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (1-butyl-3-methyl-2H-imidazol-2-yl) pentanoate.

Molecular Properties

Compound Name(1-butyl-3-methyl-2H-imidazol-2-yl) pentanoate
PubChem CID66688588
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(1-butyl-3-methyl-2H-imidazol-2-yl) pentanoate
SMILESCCCCC(=O)OC1N(C)C=CN1CCCC
InChIInChI=1S/C13H24N2O2/c1-4-6-8-12(16)17-13-14(3)10-11-15(13)9-7-5-2/h10-11,13H,4-9H2,1-3H3
InChIKeyIOWQBKIRQQSFMX-UHFFFAOYSA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-butyl-3-methyl-2H-imidazol-2-yl) acetate
CID 66586254
(1-ethyl-3-methyl-2H-imidazol-2-yl) 4-oxopentanoate
CID 66664107
(1-butyl-3-methyl-2H-imidazol-2-yl) 4-oxopentanoate
CID 66664433
(1-butyl-3-methyl-2H-imidazol-2-yl) propanoate
CID 66664677
(1,3-dimethyl-2H-imidazol-2-yl) 4-oxopentanoate
CID 66664733
(1-butyl-3-methyl-2H-imidazol-2-yl) 2-methylpropanoate
CID 66664934
(1-butyl-3-methyl-2H-imidazol-2-yl) butanoate
CID 66707081
(1-ethyl-3-methyl-2H-imidazol-2-yl) propanoate
CID 66707254
(1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate
CID 66707576
(1,3-dibutyl-2H-imidazol-2-yl) acetate
CID 67204276
(1-hexyl-3-methyl-2H-imidazol-2-yl) acetate
CID 67534301
(1-ethyl-3-methyl-2H-imidazol-2-yl) heptanoate
CID 68380250

Frequently Asked Questions

What is the IUPAC name of (1-butyl-3-methyl-2H-imidazol-2-yl) pentanoate?
The IUPAC name of (1-butyl-3-methyl-2H-imidazol-2-yl) pentanoate (CID 66688588) is (1-butyl-3-methyl-2H-imidazol-2-yl) pentanoate.
What is the SMILES notation for (1-butyl-3-methyl-2H-imidazol-2-yl) pentanoate?
The canonical SMILES for (1-butyl-3-methyl-2H-imidazol-2-yl) pentanoate is CCCCC(=O)OC1N(C)C=CN1CCCC.
What is the InChIKey of (1-butyl-3-methyl-2H-imidazol-2-yl) pentanoate?
The InChIKey is IOWQBKIRQQSFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-6-8-12(16)17-13-14(3)10-11-15(13)9-7-5-2/h10-11,13H,4-9H2,1-3H3.
What are the key properties of (1-butyl-3-methyl-2H-imidazol-2-yl) pentanoate?
(1-butyl-3-methyl-2H-imidazol-2-yl) pentanoate has a molecular weight of 240.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-3-methyl-2H-imidazol-2-yl) pentanoate is sourced from PubChem (CID 66688588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).