ethyl 5-(5-methyl-1H-imidazol-2-yl)pentanoate

C11H18N2O2 — CID 54429069

IUPACethyl 5-(5-methyl-1H-imidazol-2-yl)pentanoate
SMILESCCOC(=O)CCCCc1ncc(C)[nH]1
InChIInChI=1S/C11H18N2O2/c1-3-15-11(14)7-5-4-6-10-12-8-9(2)13-10/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyWGEYXONFYTXVTK-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.99
Rot. Bonds6

About ethyl 5-(5-methyl-1H-imidazol-2-yl)pentanoate

ethyl 5-(5-methyl-1H-imidazol-2-yl)pentanoate (PubChem CID 54429069) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 5-(5-methyl-1H-imidazol-2-yl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(5-methyl-1H-imidazol-2-yl)pentanoate
PubChem CID54429069
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 5-(5-methyl-1H-imidazol-2-yl)pentanoate
SMILESCCOC(=O)CCCCc1ncc(C)[nH]1
InChIInChI=1S/C11H18N2O2/c1-3-15-11(14)7-5-4-6-10-12-8-9(2)13-10/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyWGEYXONFYTXVTK-UHFFFAOYSA-N
XLogP1.99
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.99
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

ethyl 5-(1H-imidazol-2-yl)pentanoate
CID 173264973
ethyl 5-[5-(aminomethyl)pyrimidin-2-yl]pentanoate
CID 71743527
diethyl hexanedioate
CID 160747628
diethyl icosanedioate
CID 5058538
ethyl 5-(5-bromo-2-pyridinyl)pentanoate
CID 23581271
ethyl 5-(3,5-dimethoxyphenyl)pentanoate
CID 66889380
5-methyl-2-octyl-1H-imidazole;trifluoromethanesulfonic acid
CID 174626345
ethyl 12-pyridin-2-yldodecanoate
CID 3298183
sodium;diethyl decanedioate;hydride
CID 173076435
ethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate
CID 161119875
ethyl 5-(2-ethoxyphenyl)pentanoate
CID 118039876
ethyl 2-propyl-1H-imidazole-5-carboxylate
CID 10607505

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-methyl-1H-imidazol-2-yl)pentanoate?
The IUPAC name of ethyl 5-(5-methyl-1H-imidazol-2-yl)pentanoate (CID 54429069) is ethyl 5-(5-methyl-1H-imidazol-2-yl)pentanoate.
What is the SMILES notation for ethyl 5-(5-methyl-1H-imidazol-2-yl)pentanoate?
The canonical SMILES for ethyl 5-(5-methyl-1H-imidazol-2-yl)pentanoate is CCOC(=O)CCCCc1ncc(C)[nH]1.
What is the InChIKey of ethyl 5-(5-methyl-1H-imidazol-2-yl)pentanoate?
The InChIKey is WGEYXONFYTXVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-15-11(14)7-5-4-6-10-12-8-9(2)13-10/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of ethyl 5-(5-methyl-1H-imidazol-2-yl)pentanoate?
ethyl 5-(5-methyl-1H-imidazol-2-yl)pentanoate has a molecular weight of 210.28 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-methyl-1H-imidazol-2-yl)pentanoate is sourced from PubChem (CID 54429069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).