[1-(2-fluorophenyl)cyclobutyl]-(2-methylimidazol-1-yl)methanone

C15H15FN2O — CID 110464622

IUPAC[1-(2-fluorophenyl)cyclobutyl]-(2-methylimidazol-1-yl)methanone
SMILESCc1nccn1C(=O)C1(c2ccccc2F)CCC1
InChIInChI=1S/C15H15FN2O/c1-11-17-9-10-18(11)14(19)15(7-4-8-15)12-5-2-3-6-13(12)16/h2-3,5-6,9-10H,4,7-8H2,1H3
InChIKeyNXBOHIFDTNWNOA-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.09
Rot. Bonds2

About [1-(2-fluorophenyl)cyclobutyl]-(2-methylimidazol-1-yl)methanone

[1-(2-fluorophenyl)cyclobutyl]-(2-methylimidazol-1-yl)methanone (PubChem CID 110464622) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is [1-(2-fluorophenyl)cyclobutyl]-(2-methylimidazol-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)cyclobutyl]-(2-methylimidazol-1-yl)methanone
PubChem CID110464622
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name[1-(2-fluorophenyl)cyclobutyl]-(2-methylimidazol-1-yl)methanone
SMILESCc1nccn1C(=O)C1(c2ccccc2F)CCC1
InChIInChI=1S/C15H15FN2O/c1-11-17-9-10-18(11)14(19)15(7-4-8-15)12-5-2-3-6-13(12)16/h2-3,5-6,9-10H,4,7-8H2,1H3
InChIKeyNXBOHIFDTNWNOA-UHFFFAOYSA-N
XLogP3.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 110436577
azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone
CID 110436863
methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
CID 75487964
1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117438181
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124991616
[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 72877100
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 97191139
N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110437552
1-[1-(2-fluorophenyl)cyclobutanecarbonyl]piperidine-4-carboxamide
CID 110436587
(3R)-1-[1-(2-fluorophenyl)cyclopentanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125023854
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 124589951
1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
CID 110485219

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)cyclobutyl]-(2-methylimidazol-1-yl)methanone?
The IUPAC name of [1-(2-fluorophenyl)cyclobutyl]-(2-methylimidazol-1-yl)methanone (CID 110464622) is [1-(2-fluorophenyl)cyclobutyl]-(2-methylimidazol-1-yl)methanone.
What is the SMILES notation for [1-(2-fluorophenyl)cyclobutyl]-(2-methylimidazol-1-yl)methanone?
The canonical SMILES for [1-(2-fluorophenyl)cyclobutyl]-(2-methylimidazol-1-yl)methanone is Cc1nccn1C(=O)C1(c2ccccc2F)CCC1.
What is the InChIKey of [1-(2-fluorophenyl)cyclobutyl]-(2-methylimidazol-1-yl)methanone?
The InChIKey is NXBOHIFDTNWNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-11-17-9-10-18(11)14(19)15(7-4-8-15)12-5-2-3-6-13(12)16/h2-3,5-6,9-10H,4,7-8H2,1H3.
What are the key properties of [1-(2-fluorophenyl)cyclobutyl]-(2-methylimidazol-1-yl)methanone?
[1-(2-fluorophenyl)cyclobutyl]-(2-methylimidazol-1-yl)methanone has a molecular weight of 258.30 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)cyclobutyl]-(2-methylimidazol-1-yl)methanone is sourced from PubChem (CID 110464622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).