[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone

C20H24FN3O2 — CID 164693392

IUPAC[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
SMILESCc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N1CCC[C@]2(CCC[C@H]2O)C1
InChIInChI=1S/C20H24FN3O2/c1-13-17(23-18(22-13)14-5-7-15(21)8-6-14)19(26)24-11-3-10-20(12-24)9-2-4-16(20)25/h5-8,16,25H,2-4,9-12H2,1H3,(H,22,23)/t16-,20-/m1/s1
InChIKeyYQKDFKPACSVFSP-OXQOHEQNSA-N
MW357.43 g/mol
LogP3.29
Rot. Bonds2

About [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone

[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone (PubChem CID 164693392) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
PubChem CID164693392
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
SMILESCc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N1CCC[C@]2(CCC[C@H]2O)C1
InChIInChI=1S/C20H24FN3O2/c1-13-17(23-18(22-13)14-5-7-15(21)8-6-14)19(26)24-11-3-10-20(12-24)9-2-4-16(20)25/h5-8,16,25H,2-4,9-12H2,1H3,(H,22,23)/t16-,20-/m1/s1
InChIKeyYQKDFKPACSVFSP-OXQOHEQNSA-N
XLogP3.29
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 146039511
6-[2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157014979
6-[2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 146045935
(7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 164696251
[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 146045217
(5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135116258
N-[(3aS,5R,6R,7aR)-2-[2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172662901
(5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138806015
[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]methanone
CID 146042466
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-methyl-5-phenylthiophen-2-yl)methanone
CID 135113087
9-[2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]-2-phenyl-1,5,9-triazacyclotridecan-4-one
CID 163312967
[(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 56873824

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone (CID 164693392) is [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone is Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N1CCC[C@]2(CCC[C@H]2O)C1.
What is the InChIKey of [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone?
The InChIKey is YQKDFKPACSVFSP-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-13-17(23-18(22-13)14-5-7-15(21)8-6-14)19(26)24-11-3-10-20(12-24)9-2-4-16(20)25/h5-8,16,25H,2-4,9-12H2,1H3,(H,22,23)/t16-,20-/m1/s1.
What are the key properties of [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone?
[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone has a molecular weight of 357.43 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 164693392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).