2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one

C20H34FN3O — CID 76581024

IUPAC2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one
SMILESNC1=NC(CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CCF
InChIInChI=1S/C20H34FN3O/c21-13-14-24-18(25)20(23-19(24)22,15-17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h16-17H,1-15H2,(H2,22,23)
InChIKeyUDGBLPGLFVKWGZ-UHFFFAOYSA-N
MW351.51 g/mol
LogP4.18
Rot. Bonds7

About 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one

2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one (PubChem CID 76581024) has the molecular formula C20H34FN3O and a molecular weight of 351.51 g/mol. Its IUPAC name is 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one
PubChem CID76581024
Molecular FormulaC20H34FN3O
Molecular Weight351.51 g/mol
Exact Mass351.27
IUPAC Name2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one
SMILESNC1=NC(CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CCF
InChIInChI=1S/C20H34FN3O/c21-13-14-24-18(25)20(23-19(24)22,15-17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h16-17H,1-15H2,(H2,22,23)
InChIKeyUDGBLPGLFVKWGZ-UHFFFAOYSA-N
XLogP4.18
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one?
The IUPAC name of 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one (CID 76581024) is 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one is NC1=NC(CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CCF.
What is the InChIKey of 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one?
The InChIKey is UDGBLPGLFVKWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34FN3O/c21-13-14-24-18(25)20(23-19(24)22,15-17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h16-17H,1-15H2,(H2,22,23).
What are the key properties of 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one?
2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one has a molecular weight of 351.51 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one is sourced from PubChem (CID 76581024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).