1-(6-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one

C17H15FN2O — CID 14987291

IUPAC1-(6-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one
SMILESCc1[nH]cnc1CCC(=O)c1cccc2cc(F)ccc12
InChIInChI=1S/C17H15FN2O/c1-11-16(20-10-19-11)7-8-17(21)15-4-2-3-12-9-13(18)5-6-14(12)15/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyKDOGOSMLLRHKRJ-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.83
Rot. Bonds4

About 1-(6-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one

1-(6-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one (PubChem CID 14987291) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-(6-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(6-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one
PubChem CID14987291
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name1-(6-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one
SMILESCc1[nH]cnc1CCC(=O)c1cccc2cc(F)ccc12
InChIInChI=1S/C17H15FN2O/c1-11-16(20-10-19-11)7-8-17(21)15-4-2-3-12-9-13(18)5-6-14(12)15/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyKDOGOSMLLRHKRJ-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-(6-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one?
The IUPAC name of 1-(6-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one (CID 14987291) is 1-(6-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(6-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one?
The canonical SMILES for 1-(6-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one is Cc1[nH]cnc1CCC(=O)c1cccc2cc(F)ccc12.
What is the InChIKey of 1-(6-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one?
The InChIKey is KDOGOSMLLRHKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-11-16(20-10-19-11)7-8-17(21)15-4-2-3-12-9-13(18)5-6-14(12)15/h2-6,9-10H,7-8H2,1H3,(H,19,20).
What are the key properties of 1-(6-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one?
1-(6-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-(6-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one is sourced from PubChem (CID 14987291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).