(4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate

C18H14F2N2O2 — CID 20696848

IUPAC(4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1cn(Cc2ccc(F)cc2)cn1
InChIInChI=1S/C18H14F2N2O2/c19-15-5-1-13(2-6-15)9-22-10-17(21-12-22)18(23)24-11-14-3-7-16(20)8-4-14/h1-8,10,12H,9,11H2
InChIKeyFHEDZEFWTNVLHR-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.57
Rot. Bonds5

About (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate

(4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate (PubChem CID 20696848) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate
PubChem CID20696848
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name(4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1cn(Cc2ccc(F)cc2)cn1
InChIInChI=1S/C18H14F2N2O2/c19-15-5-1-13(2-6-15)9-22-10-17(21-12-22)18(23)24-11-14-3-7-16(20)8-4-14/h1-8,10,12H,9,11H2
InChIKeyFHEDZEFWTNVLHR-UHFFFAOYSA-N
XLogP3.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate (CID 20696848) is (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate is O=C(OCc1ccc(F)cc1)c1cn(Cc2ccc(F)cc2)cn1.
What is the InChIKey of (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate?
The InChIKey is FHEDZEFWTNVLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c19-15-5-1-13(2-6-15)9-22-10-17(21-12-22)18(23)24-11-14-3-7-16(20)8-4-14/h1-8,10,12H,9,11H2.
What are the key properties of (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate?
(4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate has a molecular weight of 328.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate is sourced from PubChem (CID 20696848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).