2-[(Z)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole

C18H19F3N2O2S — CID 124667426

IUPAC2-[(Z)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(/C(=C/C2CCCC2)c2ncc(C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C18H19F3N2O2S/c1-26(24,25)14-8-6-13(7-9-14)15(10-12-4-2-3-5-12)17-22-11-16(23-17)18(19,20)21/h6-12H,2-5H2,1H3,(H,22,23)/b15-10-
InChIKeyMVFNUGVECMMTAM-GDNBJRDFSA-N
MW384.42 g/mol
LogP4.45
Rot. Bonds4

About 2-[(Z)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole

2-[(Z)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole (PubChem CID 124667426) has the molecular formula C18H19F3N2O2S and a molecular weight of 384.42 g/mol. Its IUPAC name is 2-[(Z)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-[(Z)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole
PubChem CID124667426
Molecular FormulaC18H19F3N2O2S
Molecular Weight384.42 g/mol
Exact Mass384.11
IUPAC Name2-[(Z)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(/C(=C/C2CCCC2)c2ncc(C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C18H19F3N2O2S/c1-26(24,25)14-8-6-13(7-9-14)15(10-12-4-2-3-5-12)17-22-11-16(23-17)18(19,20)21/h6-12H,2-5H2,1H3,(H,22,23)/b15-10-
InChIKeyMVFNUGVECMMTAM-GDNBJRDFSA-N
XLogP4.45
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-[(Z)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole (CID 124667426) is 2-[(Z)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-[(Z)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-[(Z)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole is CS(=O)(=O)c1ccc(/C(=C/C2CCCC2)c2ncc(C(F)(F)F)[nH]2)cc1.
What is the InChIKey of 2-[(Z)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is MVFNUGVECMMTAM-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H19F3N2O2S/c1-26(24,25)14-8-6-13(7-9-14)15(10-12-4-2-3-5-12)17-22-11-16(23-17)18(19,20)21/h6-12H,2-5H2,1H3,(H,22,23)/b15-10-.
What are the key properties of 2-[(Z)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole?
2-[(Z)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 384.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 124667426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).