1-(5-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one

C17H15FN2O — CID 14987265

IUPAC1-(5-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one
SMILESCc1[nH]cnc1CCC(=O)c1cccc2c(F)cccc12
InChIInChI=1S/C17H15FN2O/c1-11-16(20-10-19-11)8-9-17(21)14-6-2-5-13-12(14)4-3-7-15(13)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyWLMYDGNMTNQQNM-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.83
Rot. Bonds4

About 1-(5-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one

1-(5-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one (PubChem CID 14987265) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-(5-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one
PubChem CID14987265
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name1-(5-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one
SMILESCc1[nH]cnc1CCC(=O)c1cccc2c(F)cccc12
InChIInChI=1S/C17H15FN2O/c1-11-16(20-10-19-11)8-9-17(21)14-6-2-5-13-12(14)4-3-7-15(13)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyWLMYDGNMTNQQNM-UHFFFAOYSA-N
XLogP3.83
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one?
The IUPAC name of 1-(5-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one (CID 14987265) is 1-(5-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(5-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one?
The canonical SMILES for 1-(5-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one is Cc1[nH]cnc1CCC(=O)c1cccc2c(F)cccc12.
What is the InChIKey of 1-(5-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one?
The InChIKey is WLMYDGNMTNQQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-11-16(20-10-19-11)8-9-17(21)14-6-2-5-13-12(14)4-3-7-15(13)18/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of 1-(5-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one?
1-(5-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one has a molecular weight of 282.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one is sourced from PubChem (CID 14987265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).