[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone

C18H22N4O3 — CID 133124687

IUPAC[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone
SMILESO=C(c1[nH]cnc1-c1ccccc1)N1C[C@@H](O)[C@H](N2CCOCC2)C1
InChIInChI=1S/C18H22N4O3/c23-15-11-22(10-14(15)21-6-8-25-9-7-21)18(24)17-16(19-12-20-17)13-4-2-1-3-5-13/h1-5,12,14-15,23H,6-11H2,(H,19,20)/t14-,15-/m1/s1
InChIKeyCWOQSWQGVLKZTK-HUUCEWRRSA-N
MW342.40 g/mol
LogP0.59
Rot. Bonds3

About [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone

[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone (PubChem CID 133124687) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone
PubChem CID133124687
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone
SMILESO=C(c1[nH]cnc1-c1ccccc1)N1C[C@@H](O)[C@H](N2CCOCC2)C1
InChIInChI=1S/C18H22N4O3/c23-15-11-22(10-14(15)21-6-8-25-9-7-21)18(24)17-16(19-12-20-17)13-4-2-1-3-5-13/h1-5,12,14-15,23H,6-11H2,(H,19,20)/t14-,15-/m1/s1
InChIKeyCWOQSWQGVLKZTK-HUUCEWRRSA-N
XLogP0.59
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3aR,5R,6R,7aS)-5-hydroxy-6-morpholin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(4-phenyl-1H-imidazol-5-yl)methanone
CID 172662882
[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 56865341
[(3S,4S)-3-hydroxy-4-[methyl(2-methylpropyl)amino]pyrrolidin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone;sulfane
CID 164949374
(2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 110108209
[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 110108358
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 91797332
4-(4-phenylphenyl)-1H-imidazole-5-carboxylic acid
CID 82303667
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-4-phenoxybutan-1-one
CID 91784644
(4-phenyl-1H-imidazol-5-yl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 56754225
4-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-4-oxobutanoic acid
CID 122569456
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone
CID 11383785
[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 110108328

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone (CID 133124687) is [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone is O=C(c1[nH]cnc1-c1ccccc1)N1C[C@@H](O)[C@H](N2CCOCC2)C1.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone?
The InChIKey is CWOQSWQGVLKZTK-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-15-11-22(10-14(15)21-6-8-25-9-7-21)18(24)17-16(19-12-20-17)13-4-2-1-3-5-13/h1-5,12,14-15,23H,6-11H2,(H,19,20)/t14-,15-/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone?
[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone has a molecular weight of 342.40 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone is sourced from PubChem (CID 133124687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).