methyl 3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate

C14H15FN2O3 — CID 65171310

IUPACmethyl 3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1cnc(C)n1Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H15FN2O3/c1-9-16-7-12(14(18)20-3)17(9)8-10-4-5-13(19-2)11(15)6-10/h4-7H,8H2,1-3H3
InChIKeyLYZGQHCWQZSPOU-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.17
Rot. Bonds4

About methyl 3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate

methyl 3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate (PubChem CID 65171310) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is methyl 3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate
PubChem CID65171310
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Namemethyl 3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1cnc(C)n1Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H15FN2O3/c1-9-16-7-12(14(18)20-3)17(9)8-10-4-5-13(19-2)11(15)6-10/h4-7H,8H2,1-3H3
InChIKeyLYZGQHCWQZSPOU-UHFFFAOYSA-N
XLogP2.17
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3,4-dimethylphenyl)methyl]-2-methylimidazole-4-carboxylate
CID 65171500
methyl 3-[(3-cyano-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate
CID 65339391
1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine
CID 65096444
3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid
CID 82303624
methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate
CID 65171351
ethyl 1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrole-2-carboxylate
CID 105422122
1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxylic acid
CID 53193037
methyl 3-[(2-chloro-4-cyanophenyl)methyl]-2-methylimidazole-4-carboxylate
CID 102668736
5-bromo-1-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-triazole
CID 83666011
methyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate
CID 107690536
1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone
CID 167923965
methyl 3-[(3-ethylimidazol-4-yl)methyl]-2-methylimidazole-4-carboxylate
CID 66154538

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate?
The IUPAC name of methyl 3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate (CID 65171310) is methyl 3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate.
What is the SMILES notation for methyl 3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate?
The canonical SMILES for methyl 3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate is COC(=O)c1cnc(C)n1Cc1ccc(OC)c(F)c1.
What is the InChIKey of methyl 3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate?
The InChIKey is LYZGQHCWQZSPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-9-16-7-12(14(18)20-3)17(9)8-10-4-5-13(19-2)11(15)6-10/h4-7H,8H2,1-3H3.
What are the key properties of methyl 3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate?
methyl 3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate has a molecular weight of 278.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 65171310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).