methyl 2-(4-fluorophenyl)-4-[3-(2-methyl-1H-imidazol-5-yl)prop-1-enyl]benzoate

C21H19FN2O2 — CID 70211914

IUPACmethyl 2-(4-fluorophenyl)-4-[3-(2-methyl-1H-imidazol-5-yl)prop-1-enyl]benzoate
SMILESCOC(=O)c1ccc(C=CCc2cnc(C)[nH]2)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O2/c1-14-23-13-18(24-14)5-3-4-15-6-11-19(21(25)26-2)20(12-15)16-7-9-17(22)10-8-16/h3-4,6-13H,5H2,1-2H3,(H,23,24)
InChIKeyRUTUDVHBQYNMBL-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.57
Rot. Bonds5

About methyl 2-(4-fluorophenyl)-4-[3-(2-methyl-1H-imidazol-5-yl)prop-1-enyl]benzoate

methyl 2-(4-fluorophenyl)-4-[3-(2-methyl-1H-imidazol-5-yl)prop-1-enyl]benzoate (PubChem CID 70211914) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-4-[3-(2-methyl-1H-imidazol-5-yl)prop-1-enyl]benzoate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-4-[3-(2-methyl-1H-imidazol-5-yl)prop-1-enyl]benzoate
PubChem CID70211914
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Namemethyl 2-(4-fluorophenyl)-4-[3-(2-methyl-1H-imidazol-5-yl)prop-1-enyl]benzoate
SMILESCOC(=O)c1ccc(C=CCc2cnc(C)[nH]2)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O2/c1-14-23-13-18(24-14)5-3-4-15-6-11-19(21(25)26-2)20(12-15)16-7-9-17(22)10-8-16/h3-4,6-13H,5H2,1-2H3,(H,23,24)
InChIKeyRUTUDVHBQYNMBL-UHFFFAOYSA-N
XLogP4.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(4-fluorophenyl)-4-[3-(2-methyl-1H-imidazol-5-yl)prop-1-enyl]benzoate with MolForge

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Related Compounds

2-[4-[2-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
CID 25025654
2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
CID 46845425
3-[5-(2,2-Dimethylpropyl)-2-[2-[4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]ethyl]imidazol-1-yl]propanoic acid
CID 155528415
Methyl 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]-benzoate
CID 10133915
3-Iodo-4-methyl-benzoic acid 3-(1H-imidazol-4-yl)-propyl ester
CID 10690489
rac-Methyl 6-[1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]-2-naphthoate
CID 22664964
4''-(2-(5-neopentyl-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
CID 25025858
4''-(2-(4-(cyclohexylmethyl)-1H-imidazol-2-yl)ethyl)-4,5-difluorobiphenyl-2-carboxylic acid
CID 46885311
4-(2-Phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-benzoic acid methyl ester
CID 10665884
1-{4-[3-(1H-Imidazol-4-yl)-propoxymethyl]-phenyl}-ethanone
CID 44285139
4''-(2-(5-benzyl-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
CID 46881416
4''-(2-(5-phenethyl-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
CID 46881417

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-4-[3-(2-methyl-1H-imidazol-5-yl)prop-1-enyl]benzoate?
The IUPAC name of methyl 2-(4-fluorophenyl)-4-[3-(2-methyl-1H-imidazol-5-yl)prop-1-enyl]benzoate (CID 70211914) is methyl 2-(4-fluorophenyl)-4-[3-(2-methyl-1H-imidazol-5-yl)prop-1-enyl]benzoate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-4-[3-(2-methyl-1H-imidazol-5-yl)prop-1-enyl]benzoate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-4-[3-(2-methyl-1H-imidazol-5-yl)prop-1-enyl]benzoate is COC(=O)c1ccc(C=CCc2cnc(C)[nH]2)cc1-c1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-4-[3-(2-methyl-1H-imidazol-5-yl)prop-1-enyl]benzoate?
The InChIKey is RUTUDVHBQYNMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-14-23-13-18(24-14)5-3-4-15-6-11-19(21(25)26-2)20(12-15)16-7-9-17(22)10-8-16/h3-4,6-13H,5H2,1-2H3,(H,23,24).
What are the key properties of methyl 2-(4-fluorophenyl)-4-[3-(2-methyl-1H-imidazol-5-yl)prop-1-enyl]benzoate?
methyl 2-(4-fluorophenyl)-4-[3-(2-methyl-1H-imidazol-5-yl)prop-1-enyl]benzoate has a molecular weight of 350.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-4-[3-(2-methyl-1H-imidazol-5-yl)prop-1-enyl]benzoate is sourced from PubChem (CID 70211914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).