1-(4-fluorophenyl)-3-[4-(3-hydroxypropyl)imidazol-1-yl]propan-1-one

C15H17FN2O2 — CID 167771149

IUPAC1-(4-fluorophenyl)-3-[4-(3-hydroxypropyl)imidazol-1-yl]propan-1-one
SMILESO=C(CCn1cnc(CCCO)c1)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2/c16-13-5-3-12(4-6-13)15(20)7-8-18-10-14(17-11-18)2-1-9-19/h3-6,10-11,19H,1-2,7-9H2
InChIKeyXHGAQCBQVRISLI-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.22
Rot. Bonds7

About 1-(4-fluorophenyl)-3-[4-(3-hydroxypropyl)imidazol-1-yl]propan-1-one

1-(4-fluorophenyl)-3-[4-(3-hydroxypropyl)imidazol-1-yl]propan-1-one (PubChem CID 167771149) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-(3-hydroxypropyl)imidazol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-(3-hydroxypropyl)imidazol-1-yl]propan-1-one
PubChem CID167771149
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name1-(4-fluorophenyl)-3-[4-(3-hydroxypropyl)imidazol-1-yl]propan-1-one
SMILESO=C(CCn1cnc(CCCO)c1)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2/c16-13-5-3-12(4-6-13)15(20)7-8-18-10-14(17-11-18)2-1-9-19/h3-6,10-11,19H,1-2,7-9H2
InChIKeyXHGAQCBQVRISLI-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-5-hydroxypentan-1-one
CID 58518916
1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4-[1-(3-hydroxypropyl)imidazol-4-yl]butan-1-one
CID 161182625
butyl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate
CID 166402284
4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 43218269
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 115927903
3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol
CID 106717943
5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione
CID 63557987
4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 82695681
3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid
CID 98017221
1-[2-(4-fluorophenyl)-2-oxoethyl]imidazole-4-carbonitrile
CID 174962442
1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 43793253

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-(3-hydroxypropyl)imidazol-1-yl]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-(3-hydroxypropyl)imidazol-1-yl]propan-1-one (CID 167771149) is 1-(4-fluorophenyl)-3-[4-(3-hydroxypropyl)imidazol-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-(3-hydroxypropyl)imidazol-1-yl]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-(3-hydroxypropyl)imidazol-1-yl]propan-1-one is O=C(CCn1cnc(CCCO)c1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-(3-hydroxypropyl)imidazol-1-yl]propan-1-one?
The InChIKey is XHGAQCBQVRISLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-13-5-3-12(4-6-13)15(20)7-8-18-10-14(17-11-18)2-1-9-19/h3-6,10-11,19H,1-2,7-9H2.
What are the key properties of 1-(4-fluorophenyl)-3-[4-(3-hydroxypropyl)imidazol-1-yl]propan-1-one?
1-(4-fluorophenyl)-3-[4-(3-hydroxypropyl)imidazol-1-yl]propan-1-one has a molecular weight of 276.31 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-(3-hydroxypropyl)imidazol-1-yl]propan-1-one is sourced from PubChem (CID 167771149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).