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

C19H17FN2O2 — CID 166392306

IUPAC(2-fluoro-4-methylphenyl)methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate
SMILESCc1ccc(COC(=O)c2nc(-c3ccccc3)[nH]c2C)c(F)c1
InChIInChI=1S/C19H17FN2O2/c1-12-8-9-15(16(20)10-12)11-24-19(23)17-13(2)21-18(22-17)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyYXAFQUFGQKFJBD-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.19
Rot. Bonds4

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

(2-fluoro-4-methylphenyl)methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate (PubChem CID 166392306) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is (2-fluoro-4-methylphenyl)methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Name(2-fluoro-4-methylphenyl)methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate
PubChem CID166392306
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name(2-fluoro-4-methylphenyl)methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate
SMILESCc1ccc(COC(=O)c2nc(-c3ccccc3)[nH]c2C)c(F)c1
InChIInChI=1S/C19H17FN2O2/c1-12-8-9-15(16(20)10-12)11-24-19(23)17-13(2)21-18(22-17)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyYXAFQUFGQKFJBD-UHFFFAOYSA-N
XLogP4.19
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methylphenyl)methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate?
The IUPAC name of (2-fluoro-4-methylphenyl)methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate (CID 166392306) is (2-fluoro-4-methylphenyl)methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for (2-fluoro-4-methylphenyl)methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate?
The canonical SMILES for (2-fluoro-4-methylphenyl)methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate is Cc1ccc(COC(=O)c2nc(-c3ccccc3)[nH]c2C)c(F)c1.
What is the InChIKey of (2-fluoro-4-methylphenyl)methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate?
The InChIKey is YXAFQUFGQKFJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-12-8-9-15(16(20)10-12)11-24-19(23)17-13(2)21-18(22-17)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of (2-fluoro-4-methylphenyl)methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate?
(2-fluoro-4-methylphenyl)methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate has a molecular weight of 324.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylphenyl)methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 166392306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).