(4-imidazol-1-ylphenyl)methyl 4-(3-fluoro-4-hydroxyphenyl)butanoate

C20H19FN2O3 — CID 167875041

IUPAC(4-imidazol-1-ylphenyl)methyl 4-(3-fluoro-4-hydroxyphenyl)butanoate
SMILESO=C(CCCc1ccc(O)c(F)c1)OCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H19FN2O3/c21-18-12-15(6-9-19(18)24)2-1-3-20(25)26-13-16-4-7-17(8-5-16)23-11-10-22-14-23/h4-12,14,24H,1-3,13H2
InChIKeyIBCBZLYXYLDESF-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.78
Rot. Bonds7

About (4-imidazol-1-ylphenyl)methyl 4-(3-fluoro-4-hydroxyphenyl)butanoate

(4-imidazol-1-ylphenyl)methyl 4-(3-fluoro-4-hydroxyphenyl)butanoate (PubChem CID 167875041) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl)methyl 4-(3-fluoro-4-hydroxyphenyl)butanoate.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl)methyl 4-(3-fluoro-4-hydroxyphenyl)butanoate
PubChem CID167875041
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name(4-imidazol-1-ylphenyl)methyl 4-(3-fluoro-4-hydroxyphenyl)butanoate
SMILESO=C(CCCc1ccc(O)c(F)c1)OCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H19FN2O3/c21-18-12-15(6-9-19(18)24)2-1-3-20(25)26-13-16-4-7-17(8-5-16)23-11-10-22-14-23/h4-12,14,24H,1-3,13H2
InChIKeyIBCBZLYXYLDESF-UHFFFAOYSA-N
XLogP3.78
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-imidazol-1-ylphenyl)methyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopentanoate
CID 167976127
(6-imidazol-1-yl-3-pyridinyl)methyl 4-(3,4-dichlorophenyl)butanoate
CID 166227770
2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 107685401
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
ethyl 4-[3-[5-(4-ethoxy-4-oxobutyl)-2-hydroxyphenyl]-4-hydroxyphenyl]butanoate
CID 54379044
2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
CID 122163959
2-(4-hydroxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845003
1-(4-butylphenyl)imidazole
CID 174821695
benzyl 4-phenylbutanoate
CID 11961623
O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine
CID 117295563
1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 171697953
benzyl 3-imidazol-1-ylpropanoate
CID 4800438

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl)methyl 4-(3-fluoro-4-hydroxyphenyl)butanoate?
The IUPAC name of (4-imidazol-1-ylphenyl)methyl 4-(3-fluoro-4-hydroxyphenyl)butanoate (CID 167875041) is (4-imidazol-1-ylphenyl)methyl 4-(3-fluoro-4-hydroxyphenyl)butanoate.
What is the SMILES notation for (4-imidazol-1-ylphenyl)methyl 4-(3-fluoro-4-hydroxyphenyl)butanoate?
The canonical SMILES for (4-imidazol-1-ylphenyl)methyl 4-(3-fluoro-4-hydroxyphenyl)butanoate is O=C(CCCc1ccc(O)c(F)c1)OCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of (4-imidazol-1-ylphenyl)methyl 4-(3-fluoro-4-hydroxyphenyl)butanoate?
The InChIKey is IBCBZLYXYLDESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c21-18-12-15(6-9-19(18)24)2-1-3-20(25)26-13-16-4-7-17(8-5-16)23-11-10-22-14-23/h4-12,14,24H,1-3,13H2.
What are the key properties of (4-imidazol-1-ylphenyl)methyl 4-(3-fluoro-4-hydroxyphenyl)butanoate?
(4-imidazol-1-ylphenyl)methyl 4-(3-fluoro-4-hydroxyphenyl)butanoate has a molecular weight of 354.38 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylphenyl)methyl 4-(3-fluoro-4-hydroxyphenyl)butanoate is sourced from PubChem (CID 167875041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).