1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine

C13H16FN3O2S — CID 43651692

IUPAC1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1ncc(-c2ccccc2F)[nH]1
InChIInChI=1S/C13H16FN3O2S/c1-20(18,19)7-6-11(15)13-16-8-12(17-13)9-4-2-3-5-10(9)14/h2-5,8,11H,6-7,15H2,1H3,(H,16,17)
InChIKeyXWNVNGVVUOGKEV-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.65
Rot. Bonds5

About 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine

1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine (PubChem CID 43651692) has the molecular formula C13H16FN3O2S and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine
PubChem CID43651692
Molecular FormulaC13H16FN3O2S
Molecular Weight297.35 g/mol
Exact Mass297.09
IUPAC Name1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1ncc(-c2ccccc2F)[nH]1
InChIInChI=1S/C13H16FN3O2S/c1-20(18,19)7-6-11(15)13-16-8-12(17-13)9-4-2-3-5-10(9)14/h2-5,8,11H,6-7,15H2,1H3,(H,16,17)
InChIKeyXWNVNGVVUOGKEV-UHFFFAOYSA-N
XLogP1.65
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine (CID 43651692) is 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine is CS(=O)(=O)CCC(N)c1ncc(-c2ccccc2F)[nH]1.
What is the InChIKey of 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine?
The InChIKey is XWNVNGVVUOGKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S/c1-20(18,19)7-6-11(15)13-16-8-12(17-13)9-4-2-3-5-10(9)14/h2-5,8,11H,6-7,15H2,1H3,(H,16,17).
What are the key properties of 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine?
1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine has a molecular weight of 297.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 43651692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).