methyl 2-(4-fluorophenyl)-1H-imidazole-5-carboxylate

C11H9FN2O2 — CID 62252854

IUPACmethyl 2-(4-fluorophenyl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C11H9FN2O2/c1-16-11(15)9-6-13-10(14-9)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14)
InChIKeySWAQJTRHIKRZRY-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.00
Rot. Bonds2

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

methyl 2-(4-fluorophenyl)-1H-imidazole-5-carboxylate (PubChem CID 62252854) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-1H-imidazole-5-carboxylate
PubChem CID62252854
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Namemethyl 2-(4-fluorophenyl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C11H9FN2O2/c1-16-11(15)9-6-13-10(14-9)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14)
InChIKeySWAQJTRHIKRZRY-UHFFFAOYSA-N
XLogP2.00
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-1H-imidazole-5-carboxylate (CID 62252854) is methyl 2-(4-fluorophenyl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-1H-imidazole-5-carboxylate is COC(=O)c1cnc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-1H-imidazole-5-carboxylate?
The InChIKey is SWAQJTRHIKRZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-16-11(15)9-6-13-10(14-9)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14).
What are the key properties of methyl 2-(4-fluorophenyl)-1H-imidazole-5-carboxylate?
methyl 2-(4-fluorophenyl)-1H-imidazole-5-carboxylate has a molecular weight of 220.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 62252854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).