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

C32H43N3O2 — CID 58425320

IUPAC(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(3-naphthalen-2-yl-2-oxopropyl)cyclohexyl]methyl]imidazol-4-one
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](CC(=O)Cc3ccc4ccccc4c3)C2)N=C1N
InChIInChI=1S/C32H43N3O2/c1-35-30(37)32(34-31(35)33,17-16-23-8-3-2-4-9-23)22-26-11-7-10-24(18-26)20-29(36)21-25-14-15-27-12-5-6-13-28(27)19-25/h5-6,12-15,19,23-24,26H,2-4,7-11,16-18,20-22H2,1H3,(H2,33,34)/t24-,26+,32-/m1/s1
InChIKeyKYLKQYWMQUTKQG-PBWRJCPJSA-N
MW501.72 g/mol
LogP6.42
Rot. Bonds9

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

(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(3-naphthalen-2-yl-2-oxopropyl)cyclohexyl]methyl]imidazol-4-one (PubChem CID 58425320) has the molecular formula C32H43N3O2 and a molecular weight of 501.72 g/mol. Its IUPAC name is (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(3-naphthalen-2-yl-2-oxopropyl)cyclohexyl]methyl]imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(3-naphthalen-2-yl-2-oxopropyl)cyclohexyl]methyl]imidazol-4-one
PubChem CID58425320
Molecular FormulaC32H43N3O2
Molecular Weight501.72 g/mol
Exact Mass501.34
IUPAC Name(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(3-naphthalen-2-yl-2-oxopropyl)cyclohexyl]methyl]imidazol-4-one
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](CC(=O)Cc3ccc4ccccc4c3)C2)N=C1N
InChIInChI=1S/C32H43N3O2/c1-35-30(37)32(34-31(35)33,17-16-23-8-3-2-4-9-23)22-26-11-7-10-24(18-26)20-29(36)21-25-14-15-27-12-5-6-13-28(27)19-25/h5-6,12-15,19,23-24,26H,2-4,7-11,16-18,20-22H2,1H3,(H2,33,34)/t24-,26+,32-/m1/s1
InChIKeyKYLKQYWMQUTKQG-PBWRJCPJSA-N
XLogP6.42
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.72
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one
CID 58425304
(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-(2-cyclopropylethyl)cyclohexyl]methyl]-3-methylimidazol-4-one
CID 58425072
3-[(3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methyl-N-naphthalen-2-ylbutanamide
CID 163532654
2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide
CID 58425054
1-[(1R,3S)-3-[[(4R)-2-amino-4-(3-cyclohexylpropyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea
CID 163694065
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one
CID 59386834
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one
CID 58646315
1-cycloheptyl-3-naphthalen-2-ylpropan-2-one
CID 114458055
1-[(1S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea
CID 11775374
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]cyclopentanecarboxamide
CID 59388787
(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
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one
CID 11177778

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(3-naphthalen-2-yl-2-oxopropyl)cyclohexyl]methyl]imidazol-4-one?
The IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(3-naphthalen-2-yl-2-oxopropyl)cyclohexyl]methyl]imidazol-4-one (CID 58425320) is (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(3-naphthalen-2-yl-2-oxopropyl)cyclohexyl]methyl]imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(3-naphthalen-2-yl-2-oxopropyl)cyclohexyl]methyl]imidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(3-naphthalen-2-yl-2-oxopropyl)cyclohexyl]methyl]imidazol-4-one is CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](CC(=O)Cc3ccc4ccccc4c3)C2)N=C1N.
What is the InChIKey of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(3-naphthalen-2-yl-2-oxopropyl)cyclohexyl]methyl]imidazol-4-one?
The InChIKey is KYLKQYWMQUTKQG-PBWRJCPJSA-N. The full InChI is InChI=1S/C32H43N3O2/c1-35-30(37)32(34-31(35)33,17-16-23-8-3-2-4-9-23)22-26-11-7-10-24(18-26)20-29(36)21-25-14-15-27-12-5-6-13-28(27)19-25/h5-6,12-15,19,23-24,26H,2-4,7-11,16-18,20-22H2,1H3,(H2,33,34)/t24-,26+,32-/m1/s1.
What are the key properties of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(3-naphthalen-2-yl-2-oxopropyl)cyclohexyl]methyl]imidazol-4-one?
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(3-naphthalen-2-yl-2-oxopropyl)cyclohexyl]methyl]imidazol-4-one has a molecular weight of 501.72 g/mol, XLogP of 6.42, 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-[[(1S,3R)-3-(3-naphthalen-2-yl-2-oxopropyl)cyclohexyl]methyl]imidazol-4-one is sourced from PubChem (CID 58425320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).