5-hydroxy-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenacyl-1H-imidazol-2-one

C21H28N2O3 — CID 123162928

IUPAC5-hydroxy-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenacyl-1H-imidazol-2-one
SMILESCC(C)[C@@H]1CC[C@@H](C)CC1c1c(O)[nH]c(=O)n1CC(=O)c1ccccc1
InChIInChI=1S/C21H28N2O3/c1-13(2)16-10-9-14(3)11-17(16)19-20(25)22-21(26)23(19)12-18(24)15-7-5-4-6-8-15/h4-8,13-14,16-17,25H,9-12H2,1-3H3,(H,22,26)/t14-,16+,17?/m1/s1
InChIKeyVVZCFJUSFWPARY-UMFITKPXSA-N
MW356.47 g/mol
LogP3.94
Rot. Bonds5

About 5-hydroxy-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenacyl-1H-imidazol-2-one

5-hydroxy-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenacyl-1H-imidazol-2-one (PubChem CID 123162928) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-hydroxy-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenacyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-hydroxy-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenacyl-1H-imidazol-2-one
PubChem CID123162928
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name5-hydroxy-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenacyl-1H-imidazol-2-one
SMILESCC(C)[C@@H]1CC[C@@H](C)CC1c1c(O)[nH]c(=O)n1CC(=O)c1ccccc1
InChIInChI=1S/C21H28N2O3/c1-13(2)16-10-9-14(3)11-17(16)19-20(25)22-21(26)23(19)12-18(24)15-7-5-4-6-8-15/h4-8,13-14,16-17,25H,9-12H2,1-3H3,(H,22,26)/t14-,16+,17?/m1/s1
InChIKeyVVZCFJUSFWPARY-UMFITKPXSA-N
XLogP3.94
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-hydroxy-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenacyl-1H-imidazol-2-one with MolForge

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Related Compounds

2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246
phenacyl (1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 73053416
5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66831556
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 11086510
[(1R)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 12641355
2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid
CID 65057316
(3aS,5R,7aR)-5-methyl-2-(2-phenacyloxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124715066
(5S,9R)-9-methyl-3-phenacyl-6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 126729132
[3-benzoyloxy-2,2-bis(5-methyl-2-propan-2-ylcyclohexyl)propyl] benzoate
CID 66620113
2-[[(2S)-5-methyl-2-propan-2-ylcyclohexyl]methoxy]-1-(1H-pyrrol-3-yl)ethanone
CID 142058676
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 169225329
carbon monoxide;[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylmethylidene]chromium
CID 10917101

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenacyl-1H-imidazol-2-one?
The IUPAC name of 5-hydroxy-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenacyl-1H-imidazol-2-one (CID 123162928) is 5-hydroxy-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenacyl-1H-imidazol-2-one.
What is the SMILES notation for 5-hydroxy-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenacyl-1H-imidazol-2-one?
The canonical SMILES for 5-hydroxy-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenacyl-1H-imidazol-2-one is CC(C)[C@@H]1CC[C@@H](C)CC1c1c(O)[nH]c(=O)n1CC(=O)c1ccccc1.
What is the InChIKey of 5-hydroxy-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenacyl-1H-imidazol-2-one?
The InChIKey is VVZCFJUSFWPARY-UMFITKPXSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-13(2)16-10-9-14(3)11-17(16)19-20(25)22-21(26)23(19)12-18(24)15-7-5-4-6-8-15/h4-8,13-14,16-17,25H,9-12H2,1-3H3,(H,22,26)/t14-,16+,17?/m1/s1.
What are the key properties of 5-hydroxy-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenacyl-1H-imidazol-2-one?
5-hydroxy-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenacyl-1H-imidazol-2-one has a molecular weight of 356.47 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenacyl-1H-imidazol-2-one is sourced from PubChem (CID 123162928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).