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

C18H15FN2O3 — CID 23136618

IUPACmethyl 2-(2-fluoro-4-phenylmethoxyphenyl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(OCc3ccccc3)cc2F)[nH]1
InChIInChI=1S/C18H15FN2O3/c1-23-18(22)16-10-20-17(21-16)14-8-7-13(9-15(14)19)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,21)
InChIKeyQJTUPBZZNDVPRR-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.58
Rot. Bonds5

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

methyl 2-(2-fluoro-4-phenylmethoxyphenyl)-1H-imidazole-5-carboxylate (PubChem CID 23136618) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is methyl 2-(2-fluoro-4-phenylmethoxyphenyl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-fluoro-4-phenylmethoxyphenyl)-1H-imidazole-5-carboxylate
PubChem CID23136618
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Namemethyl 2-(2-fluoro-4-phenylmethoxyphenyl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(OCc3ccccc3)cc2F)[nH]1
InChIInChI=1S/C18H15FN2O3/c1-23-18(22)16-10-20-17(21-16)14-8-7-13(9-15(14)19)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,21)
InChIKeyQJTUPBZZNDVPRR-UHFFFAOYSA-N
XLogP3.58
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoro-4-phenylmethoxyphenyl)-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-(2-fluoro-4-phenylmethoxyphenyl)-1H-imidazole-5-carboxylate (CID 23136618) is methyl 2-(2-fluoro-4-phenylmethoxyphenyl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2-fluoro-4-phenylmethoxyphenyl)-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-(2-fluoro-4-phenylmethoxyphenyl)-1H-imidazole-5-carboxylate is COC(=O)c1cnc(-c2ccc(OCc3ccccc3)cc2F)[nH]1.
What is the InChIKey of methyl 2-(2-fluoro-4-phenylmethoxyphenyl)-1H-imidazole-5-carboxylate?
The InChIKey is QJTUPBZZNDVPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-23-18(22)16-10-20-17(21-16)14-8-7-13(9-15(14)19)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of methyl 2-(2-fluoro-4-phenylmethoxyphenyl)-1H-imidazole-5-carboxylate?
methyl 2-(2-fluoro-4-phenylmethoxyphenyl)-1H-imidazole-5-carboxylate has a molecular weight of 326.33 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoro-4-phenylmethoxyphenyl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 23136618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).