ethyl 5-imidazol-1-ylpentanoate

C10H16N2O2 — CID 12803309

IUPACethyl 5-imidazol-1-ylpentanoate
SMILESCCOC(=O)CCCCn1ccnc1
InChIInChI=1S/C10H16N2O2/c1-2-14-10(13)5-3-4-7-12-8-6-11-9-12/h6,8-9H,2-5,7H2,1H3
InChIKeyHWDJMENVMOMKNX-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.62
Rot. Bonds6

About ethyl 5-imidazol-1-ylpentanoate

ethyl 5-imidazol-1-ylpentanoate (PubChem CID 12803309) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 5-imidazol-1-ylpentanoate.

Molecular Properties

Compound Nameethyl 5-imidazol-1-ylpentanoate
PubChem CID12803309
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethyl 5-imidazol-1-ylpentanoate
SMILESCCOC(=O)CCCCn1ccnc1
InChIInChI=1S/C10H16N2O2/c1-2-14-10(13)5-3-4-7-12-8-6-11-9-12/h6,8-9H,2-5,7H2,1H3
InChIKeyHWDJMENVMOMKNX-UHFFFAOYSA-N
XLogP1.62
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 1H-imidazole-1-butanoate
CID 3055389
ethyl 3-(1H-imidazol-1-yl)propanoate
CID 11845203
5-(1H-Imidazol-1-yl)pentanoic acid hydrochloride
CID 45259324
5-(1H-imidazol-1-yl)pentanoic acid
CID 12803313
1H-Imidazole-1-heptanoic acid, methyl ester
CID 3050286
Imidazole-1-butyric acid, 2-methyl-, ethyl ester
CID 3066545
1-Butyl-3-methylimidazolium Acetate
CID 15953398
6-(1H-Imidazol-1-yl)hexanoic acid
CID 12803314
Carbethoxyhexyl Imidazole
CID 12870393
methyl 6-[2-[(E)-hydroxyiminomethyl]-3-methylimidazol-3-ium-1-yl]hexanoate chloride
CID 136001937
1-(1H-Imidazol-1-yl)ethyl tetradecanoate
CID 68745438
Diethyl 3-imidazol-1-ylpentanedioate
CID 44292645

Frequently Asked Questions

What is the IUPAC name of ethyl 5-imidazol-1-ylpentanoate?
The IUPAC name of ethyl 5-imidazol-1-ylpentanoate (CID 12803309) is ethyl 5-imidazol-1-ylpentanoate.
What is the SMILES notation for ethyl 5-imidazol-1-ylpentanoate?
The canonical SMILES for ethyl 5-imidazol-1-ylpentanoate is CCOC(=O)CCCCn1ccnc1.
What is the InChIKey of ethyl 5-imidazol-1-ylpentanoate?
The InChIKey is HWDJMENVMOMKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-14-10(13)5-3-4-7-12-8-6-11-9-12/h6,8-9H,2-5,7H2,1H3.
What are the key properties of ethyl 5-imidazol-1-ylpentanoate?
ethyl 5-imidazol-1-ylpentanoate has a molecular weight of 196.25 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-imidazol-1-ylpentanoate is sourced from PubChem (CID 12803309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).