5-(2-cyclohexyl-1H-imidazol-5-yl)-2-methylfuran-3-one

C14H18N2O2 — CID 175923068

IUPAC5-(2-cyclohexyl-1H-imidazol-5-yl)-2-methylfuran-3-one
SMILESCC1OC(c2cnc(C3CCCCC3)[nH]2)=CC1=O
InChIInChI=1S/C14H18N2O2/c1-9-12(17)7-13(18-9)11-8-15-14(16-11)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,15,16)
InChIKeyDOVISARVERZFNI-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.79
Rot. Bonds2

About 5-(2-cyclohexyl-1H-imidazol-5-yl)-2-methylfuran-3-one

5-(2-cyclohexyl-1H-imidazol-5-yl)-2-methylfuran-3-one (PubChem CID 175923068) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(2-cyclohexyl-1H-imidazol-5-yl)-2-methylfuran-3-one.

Molecular Properties

Compound Name5-(2-cyclohexyl-1H-imidazol-5-yl)-2-methylfuran-3-one
PubChem CID175923068
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-(2-cyclohexyl-1H-imidazol-5-yl)-2-methylfuran-3-one
SMILESCC1OC(c2cnc(C3CCCCC3)[nH]2)=CC1=O
InChIInChI=1S/C14H18N2O2/c1-9-12(17)7-13(18-9)11-8-15-14(16-11)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,15,16)
InChIKeyDOVISARVERZFNI-UHFFFAOYSA-N
XLogP2.79
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexyl-1H-imidazol-5-yl)-2-methylfuran-3-one?
The IUPAC name of 5-(2-cyclohexyl-1H-imidazol-5-yl)-2-methylfuran-3-one (CID 175923068) is 5-(2-cyclohexyl-1H-imidazol-5-yl)-2-methylfuran-3-one.
What is the SMILES notation for 5-(2-cyclohexyl-1H-imidazol-5-yl)-2-methylfuran-3-one?
The canonical SMILES for 5-(2-cyclohexyl-1H-imidazol-5-yl)-2-methylfuran-3-one is CC1OC(c2cnc(C3CCCCC3)[nH]2)=CC1=O.
What is the InChIKey of 5-(2-cyclohexyl-1H-imidazol-5-yl)-2-methylfuran-3-one?
The InChIKey is DOVISARVERZFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-12(17)7-13(18-9)11-8-15-14(16-11)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,15,16).
What are the key properties of 5-(2-cyclohexyl-1H-imidazol-5-yl)-2-methylfuran-3-one?
5-(2-cyclohexyl-1H-imidazol-5-yl)-2-methylfuran-3-one has a molecular weight of 246.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexyl-1H-imidazol-5-yl)-2-methylfuran-3-one is sourced from PubChem (CID 175923068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).