(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one

C19H33N3O — CID 11232421

IUPAC(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(CC2CCCCC2)N=C1N
InChIInChI=1S/C19H33N3O/c1-22-17(23)19(21-18(22)20,14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h15-16H,2-14H2,1H3,(H2,20,21)/t19-/m1/s1
InChIKeySVQNYPQKWMFQJJ-LJQANCHMSA-N
MW319.49 g/mol
LogP3.84
Rot. Bonds5

About (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one

(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one (PubChem CID 11232421) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one
PubChem CID11232421
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(CC2CCCCC2)N=C1N
InChIInChI=1S/C19H33N3O/c1-22-17(23)19(21-18(22)20,14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h15-16H,2-14H2,1H3,(H2,20,21)/t19-/m1/s1
InChIKeySVQNYPQKWMFQJJ-LJQANCHMSA-N
XLogP3.84
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2e,5r)-5-(2-Cyclohexylethyl)-5-{[(1s,3r)-3-(Cyclopentylamino)cyclohexyl]methyl}-2-Imino-3-Methylimidazolidin-4-One
CID 57844200
2-amino-4,4-dicyclohexyl-1-methyl-1H-imidazol-5(4H)-one
CID 46225190
(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one
CID 57843652
(5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one
CID 57844562
1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-cyclohexylurea
CID 59388200
(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-3-methylimidazol-4-one
CID 118720052
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpyrrolidin-3-yl]methyl]imidazol-4-one
CID 118720054
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one
CID 118719666
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentylpiperidin-3-yl]methyl]imidazol-4-one
CID 118719667
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpiperidin-3-yl]methyl]imidazol-4-one
CID 118719670
(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-3-methylimidazol-4-one
CID 118720053
[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-3-ium-4-yl]methyl]cyclohexyl]-cyclopentylazanium
CID 117072216

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one?
The IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one (CID 11232421) is (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one is CN1C(=O)[C@@](CCC2CCCCC2)(CC2CCCCC2)N=C1N.
What is the InChIKey of (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one?
The InChIKey is SVQNYPQKWMFQJJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H33N3O/c1-22-17(23)19(21-18(22)20,14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h15-16H,2-14H2,1H3,(H2,20,21)/t19-/m1/s1.
What are the key properties of (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one?
(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one has a molecular weight of 319.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one is sourced from PubChem (CID 11232421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).