4-[1-(fluoromethyl)imidazol-4-yl]phenol

C10H9FN2O — CID 141423855

IUPAC4-[1-(fluoromethyl)imidazol-4-yl]phenol
SMILESOc1ccc(-c2cn(CF)cn2)cc1
InChIInChI=1S/C10H9FN2O/c11-6-13-5-10(12-7-13)8-1-3-9(14)4-2-8/h1-5,7,14H,6H2
InChIKeyQDQZKWIEVVPIOJ-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.18
Rot. Bonds2

About 4-[1-(fluoromethyl)imidazol-4-yl]phenol

4-[1-(fluoromethyl)imidazol-4-yl]phenol (PubChem CID 141423855) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 4-[1-(fluoromethyl)imidazol-4-yl]phenol.

Molecular Properties

Compound Name4-[1-(fluoromethyl)imidazol-4-yl]phenol
PubChem CID141423855
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name4-[1-(fluoromethyl)imidazol-4-yl]phenol
SMILESOc1ccc(-c2cn(CF)cn2)cc1
InChIInChI=1S/C10H9FN2O/c11-6-13-5-10(12-7-13)8-1-3-9(14)4-2-8/h1-5,7,14H,6H2
InChIKeyQDQZKWIEVVPIOJ-UHFFFAOYSA-N
XLogP2.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamic acid
CID 69232749
tert-butyl N-[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamate
CID 86625175
1-(chloromethyl)-4-(4-methylphenyl)imidazole
CID 91755144
1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane
CID 145149010
2-[4-(4-bromophenyl)imidazol-1-yl]acetate
CID 3497322
1-(chloromethyl)-4-(4-methoxyphenyl)imidazole
CID 53415933
4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol
CID 134555720
4-[3-[4-(3,4-dihydroxyphenyl)imidazol-1-yl]propyl]benzene-1,2-diol
CID 177406734
4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole
CID 155674758
4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide
CID 66682655
4-(1-propylimidazol-4-yl)pyridine
CID 173238933
4-(2,4-difluorophenyl)-1-ethylimidazole
CID 141121326

Frequently Asked Questions

What is the IUPAC name of 4-[1-(fluoromethyl)imidazol-4-yl]phenol?
The IUPAC name of 4-[1-(fluoromethyl)imidazol-4-yl]phenol (CID 141423855) is 4-[1-(fluoromethyl)imidazol-4-yl]phenol.
What is the SMILES notation for 4-[1-(fluoromethyl)imidazol-4-yl]phenol?
The canonical SMILES for 4-[1-(fluoromethyl)imidazol-4-yl]phenol is Oc1ccc(-c2cn(CF)cn2)cc1.
What is the InChIKey of 4-[1-(fluoromethyl)imidazol-4-yl]phenol?
The InChIKey is QDQZKWIEVVPIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-6-13-5-10(12-7-13)8-1-3-9(14)4-2-8/h1-5,7,14H,6H2.
What are the key properties of 4-[1-(fluoromethyl)imidazol-4-yl]phenol?
4-[1-(fluoromethyl)imidazol-4-yl]phenol has a molecular weight of 192.19 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(fluoromethyl)imidazol-4-yl]phenol is sourced from PubChem (CID 141423855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).