4-[1-(1H-imidazol-5-yl)ethyl]-2H-furan-5-one

C9H10N2O2 — CID 23053744

IUPAC4-[1-(1H-imidazol-5-yl)ethyl]-2H-furan-5-one
SMILESCC(C1=CCOC1=O)c1cnc[nH]1
InChIInChI=1S/C9H10N2O2/c1-6(8-4-10-5-11-8)7-2-3-13-9(7)12/h2,4-6H,3H2,1H3,(H,10,11)
InChIKeyUCIWQUYUKNVAON-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.00
Rot. Bonds2

About 4-[1-(1H-imidazol-5-yl)ethyl]-2H-furan-5-one

4-[1-(1H-imidazol-5-yl)ethyl]-2H-furan-5-one (PubChem CID 23053744) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-[1-(1H-imidazol-5-yl)ethyl]-2H-furan-5-one.

Molecular Properties

Compound Name4-[1-(1H-imidazol-5-yl)ethyl]-2H-furan-5-one
PubChem CID23053744
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-[1-(1H-imidazol-5-yl)ethyl]-2H-furan-5-one
SMILESCC(C1=CCOC1=O)c1cnc[nH]1
InChIInChI=1S/C9H10N2O2/c1-6(8-4-10-5-11-8)7-2-3-13-9(7)12/h2,4-6H,3H2,1H3,(H,10,11)
InChIKeyUCIWQUYUKNVAON-UHFFFAOYSA-N
XLogP1.00
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-(1H-Imidazol-5-Yl)Propanoate
CID 565491
(Z)-but-2-enedioic acid;5-[3-(3,3-dimethylbutoxy)propyl]-1H-imidazole
CID 71451010
(Z)-but-2-enedioic acid;5-[3-(4-methylpentoxy)propyl]-1H-imidazole
CID 71456317
(Z)-but-2-enedioic acid;5-[3-(3-methylbutoxy)propyl]-1H-imidazole
CID 71458153
methyl 3-(1H-imidazol-4-yl)propanoate hydrochloride
CID 18433479
3-(1H-imidazol-5-yl)propyl 3,3-dimethylbutanoate
CID 10922164
(Z)-but-2-enedioic acid;5-(3-pentoxypropyl)-1H-imidazole
CID 44323502
(Z)-but-2-enedioic acid;5-(3-butoxypropyl)-1H-imidazole
CID 44323538
(Z)-but-2-enedioic acid;5-[3-[(2-methylpropan-2-yl)oxy]propyl]-1H-imidazole
CID 44323687
(Z)-but-2-enedioic acid;5-[3-(cyclopropylmethoxy)propyl]-1H-imidazole
CID 44323817
(Z)-but-2-enedioic acid;5-[3-(2-methylpropoxy)propyl]-1H-imidazole
CID 71452822
Methyl 2-amino-3-(1H-imidazol-4-yl)butyrate
CID 10397464

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-imidazol-5-yl)ethyl]-2H-furan-5-one?
The IUPAC name of 4-[1-(1H-imidazol-5-yl)ethyl]-2H-furan-5-one (CID 23053744) is 4-[1-(1H-imidazol-5-yl)ethyl]-2H-furan-5-one.
What is the SMILES notation for 4-[1-(1H-imidazol-5-yl)ethyl]-2H-furan-5-one?
The canonical SMILES for 4-[1-(1H-imidazol-5-yl)ethyl]-2H-furan-5-one is CC(C1=CCOC1=O)c1cnc[nH]1.
What is the InChIKey of 4-[1-(1H-imidazol-5-yl)ethyl]-2H-furan-5-one?
The InChIKey is UCIWQUYUKNVAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6(8-4-10-5-11-8)7-2-3-13-9(7)12/h2,4-6H,3H2,1H3,(H,10,11).
What are the key properties of 4-[1-(1H-imidazol-5-yl)ethyl]-2H-furan-5-one?
4-[1-(1H-imidazol-5-yl)ethyl]-2H-furan-5-one has a molecular weight of 178.19 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-imidazol-5-yl)ethyl]-2H-furan-5-one is sourced from PubChem (CID 23053744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).