1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol

C17H23FN2O — CID 22762885

IUPAC1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol
SMILESCCCCC(O)(CCc1ccc(F)cc1)Cn1ccnc1
InChIInChI=1S/C17H23FN2O/c1-2-3-9-17(21,13-20-12-11-19-14-20)10-8-15-4-6-16(18)7-5-15/h4-7,11-12,14,21H,2-3,8-10,13H2,1H3
InChIKeyKSLGTKRQVCNCFX-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.58
Rot. Bonds8

About 1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol

1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol (PubChem CID 22762885) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol
PubChem CID22762885
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol
SMILESCCCCC(O)(CCc1ccc(F)cc1)Cn1ccnc1
InChIInChI=1S/C17H23FN2O/c1-2-3-9-17(21,13-20-12-11-19-14-20)10-8-15-4-6-16(18)7-5-15/h4-7,11-12,14,21H,2-3,8-10,13H2,1H3
InChIKeyKSLGTKRQVCNCFX-UHFFFAOYSA-N
XLogP3.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)hexan-3-ol
CID 22762796
1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole
CID 22762814
1-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762948
1-[2-(2,4-difluorophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762956
1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol
CID 22762802
1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762834
2-(4-fluorophenyl)-5-imidazol-1-ylpentan-2-ol
CID 22763069
1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol
CID 22763056
1-[2-(2,4-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22763057
1-[4-(4-fluorophenyl)-2-octoxybutyl]imidazole
CID 21415280
1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole
CID 21415077
(2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol
CID 67853018

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol?
The IUPAC name of 1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol (CID 22762885) is 1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol?
The canonical SMILES for 1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol is CCCCC(O)(CCc1ccc(F)cc1)Cn1ccnc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol?
The InChIKey is KSLGTKRQVCNCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-2-3-9-17(21,13-20-12-11-19-14-20)10-8-15-4-6-16(18)7-5-15/h4-7,11-12,14,21H,2-3,8-10,13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol?
1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol has a molecular weight of 290.38 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol is sourced from PubChem (CID 22762885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).