(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one

C32H49N5O2 — CID 11237963

IUPAC(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one
SMILESCCC[C@H]1CN(Cc2ccc(CN3C(=O)[C@@](CCC4CCCCC4)(CC4CCCCC4)N=C3N)cc2)C(=O)N1
InChIInChI=1S/C32H49N5O2/c1-2-9-28-23-36(31(39)34-28)21-26-14-16-27(17-15-26)22-37-29(38)32(35-30(37)33,20-25-12-7-4-8-13-25)19-18-24-10-5-3-6-11-24/h14-17,24-25,28H,2-13,18-23H2,1H3,(H2,33,35)(H,34,39)/t28-,32+/m0/s1
InChIKeySILGEXOUELDSRZ-GMCHKSTQSA-N
MW535.78 g/mol
LogP6.11
Rot. Bonds11

About (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one

(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one (PubChem CID 11237963) has the molecular formula C32H49N5O2 and a molecular weight of 535.78 g/mol. Its IUPAC name is (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one
PubChem CID11237963
Molecular FormulaC32H49N5O2
Molecular Weight535.78 g/mol
Exact Mass535.39
IUPAC Name(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one
SMILESCCC[C@H]1CN(Cc2ccc(CN3C(=O)[C@@](CCC4CCCCC4)(CC4CCCCC4)N=C3N)cc2)C(=O)N1
InChIInChI=1S/C32H49N5O2/c1-2-9-28-23-36(31(39)34-28)21-26-14-16-27(17-15-26)22-37-29(38)32(35-30(37)33,20-25-12-7-4-8-13-25)19-18-24-10-5-3-6-11-24/h14-17,24-25,28H,2-13,18-23H2,1H3,(H2,33,35)(H,34,39)/t28-,32+/m0/s1
InChIKeySILGEXOUELDSRZ-GMCHKSTQSA-N
XLogP6.11
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.78
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one with MolForge

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Related Compounds

Bibo3304
CID 5311022
2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4R)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one
CID 11237964
rac-3-[(3-Butylureido)methyl]benzyl-5-cyclohexylethyl-5-cyclohexylmethyl-2-iminohydantoin
CID 11375895
2-amino-1-benzyl-4-cyclohexyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16051038
2-amino-4-cyclohexyl-1-hexyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16051040
2-Amino-3-cyclohexyl-5,5-diphenylimidazol-4-one
CID 44530523
2-Amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one
CID 44530662
(R)-5-(2-Cyclohexylethyl)-5-(cyclohexylmethyl)-3-[4-(2-oxo-4(S)-propylimidazolidin-1-yl)methyl]benzyl-2-iminohydantoin
CID 45484250
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide
CID 59262349
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide
CID 59262483
2-Amino-3-cyclohexyl-5,5-bis(4-methylphenyl)imidazol-4-one
CID 76324856
N-(2,3-dimethylcyclohexyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 3900043

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one?
The IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one (CID 11237963) is (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one is CCC[C@H]1CN(Cc2ccc(CN3C(=O)[C@@](CCC4CCCCC4)(CC4CCCCC4)N=C3N)cc2)C(=O)N1.
What is the InChIKey of (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one?
The InChIKey is SILGEXOUELDSRZ-GMCHKSTQSA-N. The full InChI is InChI=1S/C32H49N5O2/c1-2-9-28-23-36(31(39)34-28)21-26-14-16-27(17-15-26)22-37-29(38)32(35-30(37)33,20-25-12-7-4-8-13-25)19-18-24-10-5-3-6-11-24/h14-17,24-25,28H,2-13,18-23H2,1H3,(H2,33,35)(H,34,39)/t28-,32+/m0/s1.
What are the key properties of (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one?
(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one has a molecular weight of 535.78 g/mol, XLogP of 6.11, 11 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)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one is sourced from PubChem (CID 11237963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).