1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid

C14H13FN2O2 — CID 116882402

IUPAC1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ncc(-c3cccc(F)c3)[nH]2)CCC1
InChIInChI=1S/C14H13FN2O2/c15-10-4-1-3-9(7-10)11-8-16-12(17-11)14(13(18)19)5-2-6-14/h1,3-4,7-8H,2,5-6H2,(H,16,17)(H,18,19)
InChIKeySMJMGPLKUSJELC-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.72
Rot. Bonds3

About 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid

1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid (PubChem CID 116882402) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid
PubChem CID116882402
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ncc(-c3cccc(F)c3)[nH]2)CCC1
InChIInChI=1S/C14H13FN2O2/c15-10-4-1-3-9(7-10)11-8-16-12(17-11)14(13(18)19)5-2-6-14/h1,3-4,7-8H,2,5-6H2,(H,16,17)(H,18,19)
InChIKeySMJMGPLKUSJELC-UHFFFAOYSA-N
XLogP2.72
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid (CID 116882402) is 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid is O=C(O)C1(c2ncc(-c3cccc(F)c3)[nH]2)CCC1.
What is the InChIKey of 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid?
The InChIKey is SMJMGPLKUSJELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-10-4-1-3-9(7-10)11-8-16-12(17-11)14(13(18)19)5-2-6-14/h1,3-4,7-8H,2,5-6H2,(H,16,17)(H,18,19).
What are the key properties of 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid?
1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116882402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).