5-[(4-fluorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclopent-3-en-1-ol

C18H19FN2O — CID 67715872

IUPAC5-[(4-fluorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclopent-3-en-1-ol
SMILESCC1(C)C=CC(=Cc2ccc(F)cc2)C1(O)Cn1ccnc1
InChIInChI=1S/C18H19FN2O/c1-17(2)8-7-15(11-14-3-5-16(19)6-4-14)18(17,22)12-21-10-9-20-13-21/h3-11,13,22H,12H2,1-2H3
InChIKeyHWYOJEXFOSYQOA-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.43
Rot. Bonds3

About 5-[(4-fluorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclopent-3-en-1-ol

5-[(4-fluorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclopent-3-en-1-ol (PubChem CID 67715872) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclopent-3-en-1-ol.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclopent-3-en-1-ol
PubChem CID67715872
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name5-[(4-fluorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclopent-3-en-1-ol
SMILESCC1(C)C=CC(=Cc2ccc(F)cc2)C1(O)Cn1ccnc1
InChIInChI=1S/C18H19FN2O/c1-17(2)8-7-15(11-14-3-5-16(19)6-4-14)18(17,22)12-21-10-9-20-13-21/h3-11,13,22H,12H2,1-2H3
InChIKeyHWYOJEXFOSYQOA-UHFFFAOYSA-N
XLogP3.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol
CID 44522284
1-[[(2R,3S)-3-(2,6-difluorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]imidazole
CID 88507577
[(1S)-1-(4-fluorophenyl)-2,2-dimethylcyclopropyl]-[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 97127472
cis-(1S,2R,5E)-5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2-methoxy-2-methylcyclohexan-1-ol
CID 94840150
4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid
CID 18474516
1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
CID 16787972
2-(4-fluorophenyl)-1-imidazol-1-ylpent-4-en-2-ol
CID 12771346
1-[[2-[2-(4-fluorophenyl)ethyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole
CID 20547952
2-(4-fluorophenyl)-1-imidazol-1-yl-3-methyl-3-(1,2,4-triazol-1-yl)butan-2-ol
CID 15593724
2-(4-fluorophenyl)-5-imidazol-1-ylpentan-2-ol
CID 22763069
1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)hexan-3-ol
CID 22762796
1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole
CID 22285361

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclopent-3-en-1-ol?
The IUPAC name of 5-[(4-fluorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclopent-3-en-1-ol (CID 67715872) is 5-[(4-fluorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclopent-3-en-1-ol.
What is the SMILES notation for 5-[(4-fluorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclopent-3-en-1-ol?
The canonical SMILES for 5-[(4-fluorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclopent-3-en-1-ol is CC1(C)C=CC(=Cc2ccc(F)cc2)C1(O)Cn1ccnc1.
What is the InChIKey of 5-[(4-fluorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclopent-3-en-1-ol?
The InChIKey is HWYOJEXFOSYQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-17(2)8-7-15(11-14-3-5-16(19)6-4-14)18(17,22)12-21-10-9-20-13-21/h3-11,13,22H,12H2,1-2H3.
What are the key properties of 5-[(4-fluorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclopent-3-en-1-ol?
5-[(4-fluorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclopent-3-en-1-ol has a molecular weight of 298.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclopent-3-en-1-ol is sourced from PubChem (CID 67715872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).