2-(1-ethoxy-4-methylcyclohexyl)-1,4-dihydroimidazol-5-one

C12H20N2O2 — CID 106951863

IUPAC2-(1-ethoxy-4-methylcyclohexyl)-1,4-dihydroimidazol-5-one
SMILESCCOC1(C2=NCC(=O)N2)CCC(C)CC1
InChIInChI=1S/C12H20N2O2/c1-3-16-12(6-4-9(2)5-7-12)11-13-8-10(15)14-11/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyRLTQPJPQEHJKDH-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.50
Rot. Bonds3

About 2-(1-ethoxy-4-methylcyclohexyl)-1,4-dihydroimidazol-5-one

2-(1-ethoxy-4-methylcyclohexyl)-1,4-dihydroimidazol-5-one (PubChem CID 106951863) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(1-ethoxy-4-methylcyclohexyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(1-ethoxy-4-methylcyclohexyl)-1,4-dihydroimidazol-5-one
PubChem CID106951863
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(1-ethoxy-4-methylcyclohexyl)-1,4-dihydroimidazol-5-one
SMILESCCOC1(C2=NCC(=O)N2)CCC(C)CC1
InChIInChI=1S/C12H20N2O2/c1-3-16-12(6-4-9(2)5-7-12)11-13-8-10(15)14-11/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyRLTQPJPQEHJKDH-UHFFFAOYSA-N
XLogP1.50
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-1,4-dihydroimidazol-5-one (CID 106951863) is 2-(1-ethoxy-4-methylcyclohexyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(1-ethoxy-4-methylcyclohexyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(1-ethoxy-4-methylcyclohexyl)-1,4-dihydroimidazol-5-one is CCOC1(C2=NCC(=O)N2)CCC(C)CC1.
What is the InChIKey of 2-(1-ethoxy-4-methylcyclohexyl)-1,4-dihydroimidazol-5-one?
The InChIKey is RLTQPJPQEHJKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-16-12(6-4-9(2)5-7-12)11-13-8-10(15)14-11/h9H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(1-ethoxy-4-methylcyclohexyl)-1,4-dihydroimidazol-5-one?
2-(1-ethoxy-4-methylcyclohexyl)-1,4-dihydroimidazol-5-one has a molecular weight of 224.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4-methylcyclohexyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).