[5-[1-[2-(cyclohexen-1-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol

C16H20N2O2 — CID 56758575

IUPAC[5-[1-[2-(cyclohexen-1-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2nccn2CCC2=CCCCC2)o1
InChIInChI=1S/C16H20N2O2/c19-12-14-6-7-15(20-14)16-17-9-11-18(16)10-8-13-4-2-1-3-5-13/h4,6-7,9,11,19H,1-3,5,8,10,12H2
InChIKeyZDUKMHXOYFVAEX-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.53
Rot. Bonds5

About [5-[1-[2-(cyclohexen-1-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol

[5-[1-[2-(cyclohexen-1-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol (PubChem CID 56758575) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [5-[1-[2-(cyclohexen-1-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[1-[2-(cyclohexen-1-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol
PubChem CID56758575
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[5-[1-[2-(cyclohexen-1-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2nccn2CCC2=CCCCC2)o1
InChIInChI=1S/C16H20N2O2/c19-12-14-6-7-15(20-14)16-17-9-11-18(16)10-8-13-4-2-1-3-5-13/h4,6-7,9,11,19H,1-3,5,8,10,12H2
InChIKeyZDUKMHXOYFVAEX-UHFFFAOYSA-N
XLogP3.53
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[1-[2-(cyclohexen-1-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol?
The IUPAC name of [5-[1-[2-(cyclohexen-1-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol (CID 56758575) is [5-[1-[2-(cyclohexen-1-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[1-[2-(cyclohexen-1-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[1-[2-(cyclohexen-1-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol is OCc1ccc(-c2nccn2CCC2=CCCCC2)o1.
What is the InChIKey of [5-[1-[2-(cyclohexen-1-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol?
The InChIKey is ZDUKMHXOYFVAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-12-14-6-7-15(20-14)16-17-9-11-18(16)10-8-13-4-2-1-3-5-13/h4,6-7,9,11,19H,1-3,5,8,10,12H2.
What are the key properties of [5-[1-[2-(cyclohexen-1-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol?
[5-[1-[2-(cyclohexen-1-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol has a molecular weight of 272.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[2-(cyclohexen-1-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol is sourced from PubChem (CID 56758575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).