[1-(4-fluorophenyl)cyclopropyl]-imidazol-1-ylmethanone

C13H11FN2O — CID 110464029

IUPAC[1-(4-fluorophenyl)cyclopropyl]-imidazol-1-ylmethanone
SMILESO=C(n1ccnc1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H11FN2O/c14-11-3-1-10(2-4-11)13(5-6-13)12(17)16-8-7-15-9-16/h1-4,7-9H,5-6H2
InChIKeyLLXRHPNKXIVXMP-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.39
Rot. Bonds2

About [1-(4-fluorophenyl)cyclopropyl]-imidazol-1-ylmethanone

[1-(4-fluorophenyl)cyclopropyl]-imidazol-1-ylmethanone (PubChem CID 110464029) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopropyl]-imidazol-1-ylmethanone
PubChem CID110464029
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]-imidazol-1-ylmethanone
SMILESO=C(n1ccnc1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H11FN2O/c14-11-3-1-10(2-4-11)13(5-6-13)12(17)16-8-7-15-9-16/h1-4,7-9H,5-6H2
InChIKeyLLXRHPNKXIVXMP-UHFFFAOYSA-N
XLogP2.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-imidazol-1-ylmethanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-imidazol-1-ylmethanone (CID 110464029) is [1-(4-fluorophenyl)cyclopropyl]-imidazol-1-ylmethanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]-imidazol-1-ylmethanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]-imidazol-1-ylmethanone is O=C(n1ccnc1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]-imidazol-1-ylmethanone?
The InChIKey is LLXRHPNKXIVXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c14-11-3-1-10(2-4-11)13(5-6-13)12(17)16-8-7-15-9-16/h1-4,7-9H,5-6H2.
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]-imidazol-1-ylmethanone?
[1-(4-fluorophenyl)cyclopropyl]-imidazol-1-ylmethanone has a molecular weight of 230.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]-imidazol-1-ylmethanone is sourced from PubChem (CID 110464029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).