N-[5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]ethanesulfonamide

C22H23F6N3O3S — CID 22960792

IUPACN-[5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1=NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1C
InChIInChI=1S/C22H23F6N3O3S/c1-3-35(32,33)30-19-29-20(13-31(19)2,16-7-5-4-6-8-16)14-34-12-15-9-17(21(23,24)25)11-18(10-15)22(26,27)28/h4-11H,3,12-14H2,1-2H3,(H,29,30)
InChIKeyZOSIALBGWSGOMR-UHFFFAOYSA-N
MW523.50 g/mol
LogP4.38
Rot. Bonds7

About N-[5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]ethanesulfonamide

N-[5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]ethanesulfonamide (PubChem CID 22960792) has the molecular formula C22H23F6N3O3S and a molecular weight of 523.50 g/mol. Its IUPAC name is N-[5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]ethanesulfonamide
PubChem CID22960792
Molecular FormulaC22H23F6N3O3S
Molecular Weight523.50 g/mol
Exact Mass523.14
IUPAC NameN-[5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1=NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1C
InChIInChI=1S/C22H23F6N3O3S/c1-3-35(32,33)30-19-29-20(13-31(19)2,16-7-5-4-6-8-16)14-34-12-15-9-17(21(23,24)25)11-18(10-15)22(26,27)28/h4-11H,3,12-14H2,1-2H3,(H,29,30)
InChIKeyZOSIALBGWSGOMR-UHFFFAOYSA-N
XLogP4.38
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-2-propyl-4H-imidazole
CID 59904881
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-4-phenylimidazolidin-2-one
CID 22960728
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methylsulfonyl-4-phenylpiperidine
CID 10743826
(3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-3-phenylazepane
CID 71583096
(4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-4-phenylpyrrolidin-2-imine
CID 123325418
1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 71583093
4-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]-2-methylbutanoic acid
CID 87236679
methyl 3-[[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]amino]-3-oxopropanoate
CID 10414699
methyl 4-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]butanoate;hydrochloride
CID 19960232
(4aS,6R,8aS)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-6-phenyl-2,3,4,4a,5,8a-hexahydro-1H-1,7-naphthyridine
CID 101252838
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-piperidin-1-ylimidazolidin-2-one
CID 154533305
[(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-oxo-4-phenylimidazolidin-1-yl]phosphonic acid
CID 10234709

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]ethanesulfonamide?
The IUPAC name of N-[5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]ethanesulfonamide (CID 22960792) is N-[5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]ethanesulfonamide?
The canonical SMILES for N-[5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]ethanesulfonamide is CCS(=O)(=O)NC1=NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1C.
What is the InChIKey of N-[5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]ethanesulfonamide?
The InChIKey is ZOSIALBGWSGOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F6N3O3S/c1-3-35(32,33)30-19-29-20(13-31(19)2,16-7-5-4-6-8-16)14-34-12-15-9-17(21(23,24)25)11-18(10-15)22(26,27)28/h4-11H,3,12-14H2,1-2H3,(H,29,30).
What are the key properties of N-[5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]ethanesulfonamide?
N-[5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]ethanesulfonamide has a molecular weight of 523.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]ethanesulfonamide is sourced from PubChem (CID 22960792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).