2-[[2-ethyl-4-(fluoromethylsulfonyl)phenyl]methyl]-4,5-dihydro-1H-imidazole

C13H17FN2O2S — CID 170150893

IUPAC2-[[2-ethyl-4-(fluoromethylsulfonyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
SMILESCCc1cc(S(=O)(=O)CF)ccc1CC1=NCCN1
InChIInChI=1S/C13H17FN2O2S/c1-2-10-7-12(19(17,18)9-14)4-3-11(10)8-13-15-5-6-16-13/h3-4,7H,2,5-6,8-9H2,1H3,(H,15,16)
InChIKeyWNQUSHAGXOVZEY-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.49
Rot. Bonds5

About 2-[[2-ethyl-4-(fluoromethylsulfonyl)phenyl]methyl]-4,5-dihydro-1H-imidazole

2-[[2-ethyl-4-(fluoromethylsulfonyl)phenyl]methyl]-4,5-dihydro-1H-imidazole (PubChem CID 170150893) has the molecular formula C13H17FN2O2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[[2-ethyl-4-(fluoromethylsulfonyl)phenyl]methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[[2-ethyl-4-(fluoromethylsulfonyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
PubChem CID170150893
Molecular FormulaC13H17FN2O2S
Molecular Weight284.36 g/mol
Exact Mass284.10
IUPAC Name2-[[2-ethyl-4-(fluoromethylsulfonyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
SMILESCCc1cc(S(=O)(=O)CF)ccc1CC1=NCCN1
InChIInChI=1S/C13H17FN2O2S/c1-2-10-7-12(19(17,18)9-14)4-3-11(10)8-13-15-5-6-16-13/h3-4,7H,2,5-6,8-9H2,1H3,(H,15,16)
InChIKeyWNQUSHAGXOVZEY-UHFFFAOYSA-N
XLogP1.49
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-4-(fluoromethylsulfonyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[[2-ethyl-4-(fluoromethylsulfonyl)phenyl]methyl]-4,5-dihydro-1H-imidazole (CID 170150893) is 2-[[2-ethyl-4-(fluoromethylsulfonyl)phenyl]methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[[2-ethyl-4-(fluoromethylsulfonyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[[2-ethyl-4-(fluoromethylsulfonyl)phenyl]methyl]-4,5-dihydro-1H-imidazole is CCc1cc(S(=O)(=O)CF)ccc1CC1=NCCN1.
What is the InChIKey of 2-[[2-ethyl-4-(fluoromethylsulfonyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is WNQUSHAGXOVZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S/c1-2-10-7-12(19(17,18)9-14)4-3-11(10)8-13-15-5-6-16-13/h3-4,7H,2,5-6,8-9H2,1H3,(H,15,16).
What are the key properties of 2-[[2-ethyl-4-(fluoromethylsulfonyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
2-[[2-ethyl-4-(fluoromethylsulfonyl)phenyl]methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 284.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-4-(fluoromethylsulfonyl)phenyl]methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 170150893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).