4-[2-[bis(4-fluorophenyl)methoxy]ethylsulfanylmethyl]-5-methyl-1H-imidazole

C20H20F2N2OS — CID 3076444

IUPAC4-[2-[bis(4-fluorophenyl)methoxy]ethylsulfanylmethyl]-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1CSCCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H20F2N2OS/c1-14-19(24-13-23-14)12-26-11-10-25-20(15-2-6-17(21)7-3-15)16-4-8-18(22)9-5-16/h2-9,13,20H,10-12H2,1H3,(H,23,24)
InChIKeyPBKOPHGGHIGSLW-UHFFFAOYSA-N
MW374.46 g/mol
LogP5.04
Rot. Bonds8

About 4-[2-[bis(4-fluorophenyl)methoxy]ethylsulfanylmethyl]-5-methyl-1H-imidazole

4-[2-[bis(4-fluorophenyl)methoxy]ethylsulfanylmethyl]-5-methyl-1H-imidazole (PubChem CID 3076444) has the molecular formula C20H20F2N2OS and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-[2-[bis(4-fluorophenyl)methoxy]ethylsulfanylmethyl]-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-[2-[bis(4-fluorophenyl)methoxy]ethylsulfanylmethyl]-5-methyl-1H-imidazole
PubChem CID3076444
Molecular FormulaC20H20F2N2OS
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-[2-[bis(4-fluorophenyl)methoxy]ethylsulfanylmethyl]-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1CSCCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H20F2N2OS/c1-14-19(24-13-23-14)12-26-11-10-25-20(15-2-6-17(21)7-3-15)16-4-8-18(22)9-5-16/h2-9,13,20H,10-12H2,1H3,(H,23,24)
InChIKeyPBKOPHGGHIGSLW-UHFFFAOYSA-N
XLogP5.04
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole
CID 6603881
5-(3-benzhydryloxypropyl)-1H-imidazole
CID 21193534
3-(1H-Imidazol-4-yl)propyl di(p-fluorophenyl)methyl ether hydrochloride
CID 11957588
5-[4-[bis(4-fluorophenyl)methoxy]cyclohexyl]-1H-imidazole
CID 9885602
1H-Imidazole, 4-(((2-(bis(4-fluorophenyl)methoxy)ethyl)thio)methyl)-5-methyl-, ethanedioate, (1:1)
CID 3076443
benzhydryl 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl ether
CID 1822600
5-[4-[(4-fluorophenyl)-phenylmethoxy]butyl]-1H-imidazole
CID 24743996
5-[3-[(4-fluorophenyl)-phenylmethoxy]propyl]-1H-imidazole
CID 24743997
4-[2-[(4-fluorophenyl)methoxy]ethyl]-5-methyl-1H-imidazole
CID 59099580
5-[3-[(4-fluorophenyl)-(4-methylphenyl)methoxy]propyl]-1H-imidazole
CID 143536257
5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole chloride
CID 51371235
1-bis(phenylmethoxy)phosphoryl-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
CID 12926603

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(4-fluorophenyl)methoxy]ethylsulfanylmethyl]-5-methyl-1H-imidazole?
The IUPAC name of 4-[2-[bis(4-fluorophenyl)methoxy]ethylsulfanylmethyl]-5-methyl-1H-imidazole (CID 3076444) is 4-[2-[bis(4-fluorophenyl)methoxy]ethylsulfanylmethyl]-5-methyl-1H-imidazole.
What is the SMILES notation for 4-[2-[bis(4-fluorophenyl)methoxy]ethylsulfanylmethyl]-5-methyl-1H-imidazole?
The canonical SMILES for 4-[2-[bis(4-fluorophenyl)methoxy]ethylsulfanylmethyl]-5-methyl-1H-imidazole is Cc1[nH]cnc1CSCCOC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[2-[bis(4-fluorophenyl)methoxy]ethylsulfanylmethyl]-5-methyl-1H-imidazole?
The InChIKey is PBKOPHGGHIGSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2OS/c1-14-19(24-13-23-14)12-26-11-10-25-20(15-2-6-17(21)7-3-15)16-4-8-18(22)9-5-16/h2-9,13,20H,10-12H2,1H3,(H,23,24).
What are the key properties of 4-[2-[bis(4-fluorophenyl)methoxy]ethylsulfanylmethyl]-5-methyl-1H-imidazole?
4-[2-[bis(4-fluorophenyl)methoxy]ethylsulfanylmethyl]-5-methyl-1H-imidazole has a molecular weight of 374.46 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(4-fluorophenyl)methoxy]ethylsulfanylmethyl]-5-methyl-1H-imidazole is sourced from PubChem (CID 3076444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).