(5R)-2-amino-5-[[(1S)-3-(cyclohexylamino)cyclohexyl]methyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one

C25H38N4O — CID 70141482

IUPAC(5R)-2-amino-5-[[(1S)-3-(cyclohexylamino)cyclohexyl]methyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one
SMILESCN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCCC(NC3CCCCC3)C2)N=C1N
InChIInChI=1S/C25H38N4O/c1-29-23(30)25(28-24(29)26,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)27-21-12-6-3-7-13-21/h2,4-5,9-10,20-22,27H,3,6-8,11-18H2,1H3,(H2,26,28)/t20-,22?,25+/m0/s1
InChIKeyXBBARJTUETYPFP-CDGYUGKQSA-N
MW410.61 g/mol
LogP4.02
Rot. Bonds7

About (5R)-2-amino-5-[[(1S)-3-(cyclohexylamino)cyclohexyl]methyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one

(5R)-2-amino-5-[[(1S)-3-(cyclohexylamino)cyclohexyl]methyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one (PubChem CID 70141482) has the molecular formula C25H38N4O and a molecular weight of 410.61 g/mol. Its IUPAC name is (5R)-2-amino-5-[[(1S)-3-(cyclohexylamino)cyclohexyl]methyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-[[(1S)-3-(cyclohexylamino)cyclohexyl]methyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one
PubChem CID70141482
Molecular FormulaC25H38N4O
Molecular Weight410.61 g/mol
Exact Mass410.30
IUPAC Name(5R)-2-amino-5-[[(1S)-3-(cyclohexylamino)cyclohexyl]methyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one
SMILESCN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCCC(NC3CCCCC3)C2)N=C1N
InChIInChI=1S/C25H38N4O/c1-29-23(30)25(28-24(29)26,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)27-21-12-6-3-7-13-21/h2,4-5,9-10,20-22,27H,3,6-8,11-18H2,1H3,(H2,26,28)/t20-,22?,25+/m0/s1
InChIKeyXBBARJTUETYPFP-CDGYUGKQSA-N
XLogP4.02
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.61
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5R)-2-amino-5-[[(1S)-3-(cyclohexylamino)cyclohexyl]methyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-amino-5-[2-[(1S,3S)-3-(cyclopentylamino)cyclohexyl]ethyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one
CID 89106506
(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-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one
CID 58425304
N-[(1R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzenesulfonamide
CID 59387953
1-[(1S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea
CID 11775374
2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide
CID 58425054
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one
CID 58646315
(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-(2-cyclopropylethyl)cyclohexyl]methyl]-3-methylimidazol-4-one
CID 58425072
1-[(1R,3S)-3-[[(4R)-2-amino-4-(3-cyclohexylpropyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea
CID 163694065
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide
CID 11496530
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-chlorobenzamide
CID 59262388
(5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one
CID 158816037

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-[[(1S)-3-(cyclohexylamino)cyclohexyl]methyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one?
The IUPAC name of (5R)-2-amino-5-[[(1S)-3-(cyclohexylamino)cyclohexyl]methyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one (CID 70141482) is (5R)-2-amino-5-[[(1S)-3-(cyclohexylamino)cyclohexyl]methyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-[[(1S)-3-(cyclohexylamino)cyclohexyl]methyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-[[(1S)-3-(cyclohexylamino)cyclohexyl]methyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one is CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCCC(NC3CCCCC3)C2)N=C1N.
What is the InChIKey of (5R)-2-amino-5-[[(1S)-3-(cyclohexylamino)cyclohexyl]methyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one?
The InChIKey is XBBARJTUETYPFP-CDGYUGKQSA-N. The full InChI is InChI=1S/C25H38N4O/c1-29-23(30)25(28-24(29)26,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)27-21-12-6-3-7-13-21/h2,4-5,9-10,20-22,27H,3,6-8,11-18H2,1H3,(H2,26,28)/t20-,22?,25+/m0/s1.
What are the key properties of (5R)-2-amino-5-[[(1S)-3-(cyclohexylamino)cyclohexyl]methyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one?
(5R)-2-amino-5-[[(1S)-3-(cyclohexylamino)cyclohexyl]methyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one has a molecular weight of 410.61 g/mol, XLogP of 4.02, 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-[[(1S)-3-(cyclohexylamino)cyclohexyl]methyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one is sourced from PubChem (CID 70141482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).