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

C18H19F3N2O2S — CID 71748367

IUPAC2-[(E)-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-XNTDXEJSSA-N
MW384.42 g/mol
LogP4.45
Rot. Bonds4

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

2-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole (PubChem CID 71748367) has the molecular formula C18H19F3N2O2S and a molecular weight of 384.42 g/mol. Its IUPAC name is 2-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole
PubChem CID71748367
Molecular FormulaC18H19F3N2O2S
Molecular Weight384.42 g/mol
Exact Mass384.11
IUPAC Name2-[(E)-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-XNTDXEJSSA-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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Related Compounds

2-[(Z)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole
CID 124667426
2-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 67228625
3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol
CID 67084454
1-(benzenesulfonyl)-2-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]pyrrolo[2,3-b]pyridin-5-ol
CID 67228595
methyl 3-cycloheptyl-2-(4-methylsulfonylphenyl)prop-2-enoate
CID 54500614
2-[2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67228582
2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67228581
1-(benzenesulfonyl)-2-[2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-methoxypyrrolo[2,3-b]pyridine
CID 67228612
ethyl 3-cyclopentyl-2-(4-methylsulfonylphenyl)prop-2-enoate
CID 67084406
2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67229120
3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol
CID 67484994
1-(4-methylsulfonylphenyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2H-pyridine
CID 91330324

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole (CID 71748367) is 2-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-[(E)-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-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is MVFNUGVECMMTAM-XNTDXEJSSA-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-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole?
2-[(E)-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-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 71748367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).