(2-methyl-3-phenylimidazol-4-yl)methyl 3-fluorocyclobutane-1-carboxylate

C16H17FN2O2 — CID 166262174

IUPAC(2-methyl-3-phenylimidazol-4-yl)methyl 3-fluorocyclobutane-1-carboxylate
SMILESCc1ncc(COC(=O)C2CC(F)C2)n1-c1ccccc1
InChIInChI=1S/C16H17FN2O2/c1-11-18-9-15(19(11)14-5-3-2-4-6-14)10-21-16(20)12-7-13(17)8-12/h2-6,9,12-13H,7-8,10H2,1H3
InChIKeyGYRJUNIOABWLHG-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.97
Rot. Bonds4

About (2-methyl-3-phenylimidazol-4-yl)methyl 3-fluorocyclobutane-1-carboxylate

(2-methyl-3-phenylimidazol-4-yl)methyl 3-fluorocyclobutane-1-carboxylate (PubChem CID 166262174) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is (2-methyl-3-phenylimidazol-4-yl)methyl 3-fluorocyclobutane-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-3-phenylimidazol-4-yl)methyl 3-fluorocyclobutane-1-carboxylate
PubChem CID166262174
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name(2-methyl-3-phenylimidazol-4-yl)methyl 3-fluorocyclobutane-1-carboxylate
SMILESCc1ncc(COC(=O)C2CC(F)C2)n1-c1ccccc1
InChIInChI=1S/C16H17FN2O2/c1-11-18-9-15(19(11)14-5-3-2-4-6-14)10-21-16(20)12-7-13(17)8-12/h2-6,9,12-13H,7-8,10H2,1H3
InChIKeyGYRJUNIOABWLHG-UHFFFAOYSA-N
XLogP2.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-phenylimidazol-4-yl)methyl 3-fluorocyclobutane-1-carboxylate?
The IUPAC name of (2-methyl-3-phenylimidazol-4-yl)methyl 3-fluorocyclobutane-1-carboxylate (CID 166262174) is (2-methyl-3-phenylimidazol-4-yl)methyl 3-fluorocyclobutane-1-carboxylate.
What is the SMILES notation for (2-methyl-3-phenylimidazol-4-yl)methyl 3-fluorocyclobutane-1-carboxylate?
The canonical SMILES for (2-methyl-3-phenylimidazol-4-yl)methyl 3-fluorocyclobutane-1-carboxylate is Cc1ncc(COC(=O)C2CC(F)C2)n1-c1ccccc1.
What is the InChIKey of (2-methyl-3-phenylimidazol-4-yl)methyl 3-fluorocyclobutane-1-carboxylate?
The InChIKey is GYRJUNIOABWLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11-18-9-15(19(11)14-5-3-2-4-6-14)10-21-16(20)12-7-13(17)8-12/h2-6,9,12-13H,7-8,10H2,1H3.
What are the key properties of (2-methyl-3-phenylimidazol-4-yl)methyl 3-fluorocyclobutane-1-carboxylate?
(2-methyl-3-phenylimidazol-4-yl)methyl 3-fluorocyclobutane-1-carboxylate has a molecular weight of 288.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-phenylimidazol-4-yl)methyl 3-fluorocyclobutane-1-carboxylate is sourced from PubChem (CID 166262174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).