4-[(E)-2-[(4-fluorophenyl)methoxymethyl]-3-imidazol-1-ylprop-1-enyl]benzoic acid

C21H19FN2O3 — CID 67936010

IUPAC4-[(E)-2-[(4-fluorophenyl)methoxymethyl]-3-imidazol-1-ylprop-1-enyl]benzoic acid
SMILESO=C(O)c1ccc(/C=C(/COCc2ccc(F)cc2)Cn2ccnc2)cc1
InChIInChI=1S/C21H19FN2O3/c22-20-7-3-17(4-8-20)13-27-14-18(12-24-10-9-23-15-24)11-16-1-5-19(6-2-16)21(25)26/h1-11,15H,12-14H2,(H,25,26)/b18-11+
InChIKeyPHJQBLIWUFJFHU-WOJGMQOQSA-N
MW366.39 g/mol
LogP4.02
Rot. Bonds8

About 4-[(E)-2-[(4-fluorophenyl)methoxymethyl]-3-imidazol-1-ylprop-1-enyl]benzoic acid

4-[(E)-2-[(4-fluorophenyl)methoxymethyl]-3-imidazol-1-ylprop-1-enyl]benzoic acid (PubChem CID 67936010) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 4-[(E)-2-[(4-fluorophenyl)methoxymethyl]-3-imidazol-1-ylprop-1-enyl]benzoic acid.

Molecular Properties

Compound Name4-[(E)-2-[(4-fluorophenyl)methoxymethyl]-3-imidazol-1-ylprop-1-enyl]benzoic acid
PubChem CID67936010
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name4-[(E)-2-[(4-fluorophenyl)methoxymethyl]-3-imidazol-1-ylprop-1-enyl]benzoic acid
SMILESO=C(O)c1ccc(/C=C(/COCc2ccc(F)cc2)Cn2ccnc2)cc1
InChIInChI=1S/C21H19FN2O3/c22-20-7-3-17(4-8-20)13-27-14-18(12-24-10-9-23-15-24)11-16-1-5-19(6-2-16)21(25)26/h1-11,15H,12-14H2,(H,25,26)/b18-11+
InChIKeyPHJQBLIWUFJFHU-WOJGMQOQSA-N
XLogP4.02
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid
CID 18474516
2-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid
CID 54273924
(2S)-5-amino-2-[[4-[(E)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoyl]amino]-5-oxopentanoic acid
CID 70168851
4-[2-[(3-imidazol-1-ylpropylamino)methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid
CID 66987318
4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid
CID 167507029
methyl (E)-2-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)prop-2-enoate
CID 102231690
(2S)-2-[[2-(4-fluorophenyl)-4-[(E)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoyl]amino]propanoic acid
CID 70168870
(2S)-N-[4-(4-fluorophenoxy)phenyl]-2-[(2-imidazol-1-ylacetyl)amino]-3-phenylmethoxypropanamide
CID 67010172
(4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 171357643
[4-(imidazol-1-ylmethyl)phenyl]methyl hydrogen carbonate
CID 137392132
N-benzyl-1-(4-fluorophenyl)-2-imidazol-1-ylethanimine oxide
CID 86742210
4-[(E)-2-[[3-imidazol-1-ylpropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid
CID 66987030

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[(4-fluorophenyl)methoxymethyl]-3-imidazol-1-ylprop-1-enyl]benzoic acid?
The IUPAC name of 4-[(E)-2-[(4-fluorophenyl)methoxymethyl]-3-imidazol-1-ylprop-1-enyl]benzoic acid (CID 67936010) is 4-[(E)-2-[(4-fluorophenyl)methoxymethyl]-3-imidazol-1-ylprop-1-enyl]benzoic acid.
What is the SMILES notation for 4-[(E)-2-[(4-fluorophenyl)methoxymethyl]-3-imidazol-1-ylprop-1-enyl]benzoic acid?
The canonical SMILES for 4-[(E)-2-[(4-fluorophenyl)methoxymethyl]-3-imidazol-1-ylprop-1-enyl]benzoic acid is O=C(O)c1ccc(/C=C(/COCc2ccc(F)cc2)Cn2ccnc2)cc1.
What is the InChIKey of 4-[(E)-2-[(4-fluorophenyl)methoxymethyl]-3-imidazol-1-ylprop-1-enyl]benzoic acid?
The InChIKey is PHJQBLIWUFJFHU-WOJGMQOQSA-N. The full InChI is InChI=1S/C21H19FN2O3/c22-20-7-3-17(4-8-20)13-27-14-18(12-24-10-9-23-15-24)11-16-1-5-19(6-2-16)21(25)26/h1-11,15H,12-14H2,(H,25,26)/b18-11+.
What are the key properties of 4-[(E)-2-[(4-fluorophenyl)methoxymethyl]-3-imidazol-1-ylprop-1-enyl]benzoic acid?
4-[(E)-2-[(4-fluorophenyl)methoxymethyl]-3-imidazol-1-ylprop-1-enyl]benzoic acid has a molecular weight of 366.39 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[(4-fluorophenyl)methoxymethyl]-3-imidazol-1-ylprop-1-enyl]benzoic acid is sourced from PubChem (CID 67936010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).