methyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate

C12H11FN2O3 — CID 114016258

IUPACmethyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(F)c(OC)c2)[nH]1
InChIInChI=1S/C12H11FN2O3/c1-17-10-5-7(3-4-8(10)13)11-14-6-9(15-11)12(16)18-2/h3-6H,1-2H3,(H,14,15)
InChIKeyOHZPHXCBYNYBGG-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.01
Rot. Bonds3

About methyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate

methyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate (PubChem CID 114016258) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is methyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate
PubChem CID114016258
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Namemethyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(F)c(OC)c2)[nH]1
InChIInChI=1S/C12H11FN2O3/c1-17-10-5-7(3-4-8(10)13)11-14-6-9(15-11)12(16)18-2/h3-6H,1-2H3,(H,14,15)
InChIKeyOHZPHXCBYNYBGG-UHFFFAOYSA-N
XLogP2.01
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate
CID 55050816
2-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62250258
methyl 2-(3-bromo-4-chlorophenyl)-1H-imidazole-5-carboxylate
CID 115568384
2-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 107923253
methyl 2-[3-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate
CID 107105199
methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate
CID 62278570
N-[[2-(4-fluoro-3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 107923117
2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid
CID 62252489
methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate
CID 142749790
methyl 4-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)benzoate
CID 165456086
methyl 2-(4-chlorothiophen-2-yl)-1H-imidazole-5-carboxylate
CID 79426564
methyl 2-(3,5-dichloro-2-pyridinyl)-1H-imidazole-5-carboxylate
CID 79779929

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate (CID 114016258) is methyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate is COC(=O)c1cnc(-c2ccc(F)c(OC)c2)[nH]1.
What is the InChIKey of methyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate?
The InChIKey is OHZPHXCBYNYBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-17-10-5-7(3-4-8(10)13)11-14-6-9(15-11)12(16)18-2/h3-6H,1-2H3,(H,14,15).
What are the key properties of methyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate?
methyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate has a molecular weight of 250.23 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 114016258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).