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

C25H45N3O — CID 143064497

IUPAC2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(4-methylhexyl)imidazol-4-one
SMILESCCC(C)CCCN1C(=O)C(CCC2CCCCC2)(CC2CCCCC2)N=C1N
InChIInChI=1S/C25H45N3O/c1-3-20(2)11-10-18-28-23(29)25(27-24(28)26,19-22-14-8-5-9-15-22)17-16-21-12-6-4-7-13-21/h20-22H,3-19H2,1-2H3,(H2,26,27)
InChIKeyFZWBZXXBSIPXFI-UHFFFAOYSA-N
MW403.66 g/mol
LogP6.04
Rot. Bonds10

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

2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(4-methylhexyl)imidazol-4-one (PubChem CID 143064497) has the molecular formula C25H45N3O and a molecular weight of 403.66 g/mol. Its IUPAC name is 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(4-methylhexyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(4-methylhexyl)imidazol-4-one
PubChem CID143064497
Molecular FormulaC25H45N3O
Molecular Weight403.66 g/mol
Exact Mass403.36
IUPAC Name2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(4-methylhexyl)imidazol-4-one
SMILESCCC(C)CCCN1C(=O)C(CCC2CCCCC2)(CC2CCCCC2)N=C1N
InChIInChI=1S/C25H45N3O/c1-3-20(2)11-10-18-28-23(29)25(27-24(28)26,19-22-14-8-5-9-15-22)17-16-21-12-6-4-7-13-21/h20-22H,3-19H2,1-2H3,(H2,26,27)
InChIKeyFZWBZXXBSIPXFI-UHFFFAOYSA-N
XLogP6.04
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.66
LogP ≤ 56.04
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-(4-methylhexyl)imidazol-4-one?
The IUPAC name of 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(4-methylhexyl)imidazol-4-one (CID 143064497) is 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(4-methylhexyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(4-methylhexyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(4-methylhexyl)imidazol-4-one is CCC(C)CCCN1C(=O)C(CCC2CCCCC2)(CC2CCCCC2)N=C1N.
What is the InChIKey of 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(4-methylhexyl)imidazol-4-one?
The InChIKey is FZWBZXXBSIPXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N3O/c1-3-20(2)11-10-18-28-23(29)25(27-24(28)26,19-22-14-8-5-9-15-22)17-16-21-12-6-4-7-13-21/h20-22H,3-19H2,1-2H3,(H2,26,27).
What are the key properties of 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(4-methylhexyl)imidazol-4-one?
2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(4-methylhexyl)imidazol-4-one has a molecular weight of 403.66 g/mol, XLogP of 6.04, 10 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-(4-methylhexyl)imidazol-4-one is sourced from PubChem (CID 143064497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).