1-(4-fluorophenyl)-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone

C14H15FN2O — CID 22258231

IUPAC1-(4-fluorophenyl)-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone
SMILESCC(C)c1cnc(CC(=O)c2ccc(F)cc2)[nH]1
InChIInChI=1S/C14H15FN2O/c1-9(2)12-8-16-14(17-12)7-13(18)10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,16,17)
InChIKeyJCELKMHHPBJCID-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.10
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone

1-(4-fluorophenyl)-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone (PubChem CID 22258231) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone
PubChem CID22258231
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-(4-fluorophenyl)-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone
SMILESCC(C)c1cnc(CC(=O)c2ccc(F)cc2)[nH]1
InChIInChI=1S/C14H15FN2O/c1-9(2)12-8-16-14(17-12)7-13(18)10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,16,17)
InChIKeyJCELKMHHPBJCID-UHFFFAOYSA-N
XLogP3.10
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone (CID 22258231) is 1-(4-fluorophenyl)-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone is CC(C)c1cnc(CC(=O)c2ccc(F)cc2)[nH]1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone?
The InChIKey is JCELKMHHPBJCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9(2)12-8-16-14(17-12)7-13(18)10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,16,17).
What are the key properties of 1-(4-fluorophenyl)-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone?
1-(4-fluorophenyl)-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone has a molecular weight of 246.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 22258231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).