(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentylpiperidin-3-yl]methyl]imidazol-4-one

C23H42N4O — CID 118719667

IUPAC(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentylpiperidin-3-yl]methyl]imidazol-4-one
SMILESCCCCCN1CCC[C@H](C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1
InChIInChI=1S/C23H42N4O/c1-3-4-8-15-27-16-9-12-20(18-27)17-23(21(28)26(2)22(24)25-23)14-13-19-10-6-5-7-11-19/h19-20H,3-18H2,1-2H3,(H2,24,25)/t20-,23-/m1/s1
InChIKeyAUMPRTPXAKYVDQ-NFBKMPQASA-N
MW390.62 g/mol
LogP4.16
Rot. Bonds9

About (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentylpiperidin-3-yl]methyl]imidazol-4-one

(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentylpiperidin-3-yl]methyl]imidazol-4-one (PubChem CID 118719667) has the molecular formula C23H42N4O and a molecular weight of 390.62 g/mol. Its IUPAC name is (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentylpiperidin-3-yl]methyl]imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentylpiperidin-3-yl]methyl]imidazol-4-one
PubChem CID118719667
Molecular FormulaC23H42N4O
Molecular Weight390.62 g/mol
Exact Mass390.34
IUPAC Name(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentylpiperidin-3-yl]methyl]imidazol-4-one
SMILESCCCCCN1CCC[C@H](C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1
InChIInChI=1S/C23H42N4O/c1-3-4-8-15-27-16-9-12-20(18-27)17-23(21(28)26(2)22(24)25-23)14-13-19-10-6-5-7-11-19/h19-20H,3-18H2,1-2H3,(H2,24,25)/t20-,23-/m1/s1
InChIKeyAUMPRTPXAKYVDQ-NFBKMPQASA-N
XLogP4.16
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.62
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

(R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one
CID 11232421
(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
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
(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-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one
CID 118719669
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpiperidin-3-yl]methyl]imidazol-4-one
CID 118719670

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentylpiperidin-3-yl]methyl]imidazol-4-one?
The IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentylpiperidin-3-yl]methyl]imidazol-4-one (CID 118719667) is (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentylpiperidin-3-yl]methyl]imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentylpiperidin-3-yl]methyl]imidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentylpiperidin-3-yl]methyl]imidazol-4-one is CCCCCN1CCC[C@H](C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1.
What is the InChIKey of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentylpiperidin-3-yl]methyl]imidazol-4-one?
The InChIKey is AUMPRTPXAKYVDQ-NFBKMPQASA-N. The full InChI is InChI=1S/C23H42N4O/c1-3-4-8-15-27-16-9-12-20(18-27)17-23(21(28)26(2)22(24)25-23)14-13-19-10-6-5-7-11-19/h19-20H,3-18H2,1-2H3,(H2,24,25)/t20-,23-/m1/s1.
What are the key properties of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentylpiperidin-3-yl]methyl]imidazol-4-one?
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentylpiperidin-3-yl]methyl]imidazol-4-one has a molecular weight of 390.62 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 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-[[(3R)-1-pentylpiperidin-3-yl]methyl]imidazol-4-one is sourced from PubChem (CID 118719667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).