(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R,3R)-3-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyclohexyl]methyl]imidazol-4-one

C24H40N4O2 — CID 58425203

IUPAC(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R,3R)-3-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyclohexyl]methyl]imidazol-4-one
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(C[C@@H]2CCC[C@@H](C[C@H]3CCNC3=O)C2)N=C1N
InChIInChI=1S/C24H40N4O2/c1-28-22(30)24(27-23(28)25,12-10-17-6-3-2-4-7-17)16-19-9-5-8-18(14-19)15-20-11-13-26-21(20)29/h17-20H,2-16H2,1H3,(H2,25,27)(H,26,29)/t18-,19-,20-,24-/m1/s1
InChIKeySRMKMHVYSXZZPA-DBYOASNMSA-N
MW416.61 g/mol
LogP3.60
Rot. Bonds7

About (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R,3R)-3-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyclohexyl]methyl]imidazol-4-one

(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R,3R)-3-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyclohexyl]methyl]imidazol-4-one (PubChem CID 58425203) has the molecular formula C24H40N4O2 and a molecular weight of 416.61 g/mol. Its IUPAC name is (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R,3R)-3-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyclohexyl]methyl]imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R,3R)-3-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyclohexyl]methyl]imidazol-4-one
PubChem CID58425203
Molecular FormulaC24H40N4O2
Molecular Weight416.61 g/mol
Exact Mass416.32
IUPAC Name(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R,3R)-3-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyclohexyl]methyl]imidazol-4-one
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(C[C@@H]2CCC[C@@H](C[C@H]3CCNC3=O)C2)N=C1N
InChIInChI=1S/C24H40N4O2/c1-28-22(30)24(27-23(28)25,12-10-17-6-3-2-4-7-17)16-19-9-5-8-18(14-19)15-20-11-13-26-21(20)29/h17-20H,2-16H2,1H3,(H2,25,27)(H,26,29)/t18-,19-,20-,24-/m1/s1
InChIKeySRMKMHVYSXZZPA-DBYOASNMSA-N
XLogP3.60
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R,3R)-3-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyclohexyl]methyl]imidazol-4-one with MolForge

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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
(2e,5r)-5-(2-Cyclohexylethyl)-5-{[(3r)-1-(Cyclopentylacetyl)pyrrolidin-3-Yl]methyl}-2-Imino-3-Methylimidazolidin-4-One
CID 118720056
(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
(3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide
CID 118719668
(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
(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]methyl]-3-methylimidazol-1-ium-4-one
CID 117072215

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R,3R)-3-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyclohexyl]methyl]imidazol-4-one?
The IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R,3R)-3-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyclohexyl]methyl]imidazol-4-one (CID 58425203) is (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R,3R)-3-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyclohexyl]methyl]imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R,3R)-3-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyclohexyl]methyl]imidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R,3R)-3-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyclohexyl]methyl]imidazol-4-one is CN1C(=O)[C@@](CCC2CCCCC2)(C[C@@H]2CCC[C@@H](C[C@H]3CCNC3=O)C2)N=C1N.
What is the InChIKey of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R,3R)-3-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyclohexyl]methyl]imidazol-4-one?
The InChIKey is SRMKMHVYSXZZPA-DBYOASNMSA-N. The full InChI is InChI=1S/C24H40N4O2/c1-28-22(30)24(27-23(28)25,12-10-17-6-3-2-4-7-17)16-19-9-5-8-18(14-19)15-20-11-13-26-21(20)29/h17-20H,2-16H2,1H3,(H2,25,27)(H,26,29)/t18-,19-,20-,24-/m1/s1.
What are the key properties of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R,3R)-3-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyclohexyl]methyl]imidazol-4-one?
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R,3R)-3-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyclohexyl]methyl]imidazol-4-one has a molecular weight of 416.61 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R,3R)-3-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyclohexyl]methyl]imidazol-4-one is sourced from PubChem (CID 58425203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).