(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-(2-cyclopropylethyl)cyclohexyl]methyl]-3-methylimidazol-4-one

C24H41N3O — CID 58425072

IUPAC(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-(2-cyclopropylethyl)cyclohexyl]methyl]-3-methylimidazol-4-one
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](CCC3CC3)C2)N=C1N
InChIInChI=1S/C24H41N3O/c1-27-22(28)24(26-23(27)25,15-14-18-6-3-2-4-7-18)17-21-9-5-8-20(16-21)13-12-19-10-11-19/h18-21H,2-17H2,1H3,(H2,25,26)/t20-,21-,24+/m0/s1
InChIKeyAGKZZZGUXWFLDX-AWRGLXIESA-N
MW387.61 g/mol
LogP5.26
Rot. Bonds8

About (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-(2-cyclopropylethyl)cyclohexyl]methyl]-3-methylimidazol-4-one

(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-(2-cyclopropylethyl)cyclohexyl]methyl]-3-methylimidazol-4-one (PubChem CID 58425072) has the molecular formula C24H41N3O and a molecular weight of 387.61 g/mol. Its IUPAC name is (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-(2-cyclopropylethyl)cyclohexyl]methyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-(2-cyclopropylethyl)cyclohexyl]methyl]-3-methylimidazol-4-one
PubChem CID58425072
Molecular FormulaC24H41N3O
Molecular Weight387.61 g/mol
Exact Mass387.32
IUPAC Name(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-(2-cyclopropylethyl)cyclohexyl]methyl]-3-methylimidazol-4-one
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](CCC3CC3)C2)N=C1N
InChIInChI=1S/C24H41N3O/c1-27-22(28)24(26-23(27)25,15-14-18-6-3-2-4-7-18)17-21-9-5-8-20(16-21)13-12-19-10-11-19/h18-21H,2-17H2,1H3,(H2,25,26)/t20-,21-,24+/m0/s1
InChIKeyAGKZZZGUXWFLDX-AWRGLXIESA-N
XLogP5.26
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

(R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one
CID 11232421
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-(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)-3-methyl-5-[[(3S)-1-pentanoylpiperidin-3-yl]methyl]imidazol-4-one
CID 118720051
(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one
CID 57843987
3-[(1-Acetylpiperidin-4-yl)methyl]-2-amino-5-butyl-5-(cyclohexylmethyl)imidazol-4-one
CID 57844676
2-Amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(2-fluoroethyl)imidazol-4-one
CID 76581024
(5R)-2-amino-5-[[(3R)-3-(butylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one
CID 11223035
(5R)-2-amino-3-[(1S)-1-cyclohexylethyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one
CID 11362020
2-Imino-5-butyl-5-cyclopropyl-3-methylimidazolidin-4-one
CID 45072289

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-(2-cyclopropylethyl)cyclohexyl]methyl]-3-methylimidazol-4-one?
The IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-(2-cyclopropylethyl)cyclohexyl]methyl]-3-methylimidazol-4-one (CID 58425072) is (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-(2-cyclopropylethyl)cyclohexyl]methyl]-3-methylimidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-(2-cyclopropylethyl)cyclohexyl]methyl]-3-methylimidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-(2-cyclopropylethyl)cyclohexyl]methyl]-3-methylimidazol-4-one is CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](CCC3CC3)C2)N=C1N.
What is the InChIKey of (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-(2-cyclopropylethyl)cyclohexyl]methyl]-3-methylimidazol-4-one?
The InChIKey is AGKZZZGUXWFLDX-AWRGLXIESA-N. The full InChI is InChI=1S/C24H41N3O/c1-27-22(28)24(26-23(27)25,15-14-18-6-3-2-4-7-18)17-21-9-5-8-20(16-21)13-12-19-10-11-19/h18-21H,2-17H2,1H3,(H2,25,26)/t20-,21-,24+/m0/s1.
What are the key properties of (5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-(2-cyclopropylethyl)cyclohexyl]methyl]-3-methylimidazol-4-one?
(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-(2-cyclopropylethyl)cyclohexyl]methyl]-3-methylimidazol-4-one has a molecular weight of 387.61 g/mol, XLogP of 5.26, 8 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-[[(1S,3S)-3-(2-cyclopropylethyl)cyclohexyl]methyl]-3-methylimidazol-4-one is sourced from PubChem (CID 58425072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).