1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole

C22H25FN2OS — CID 22762834

IUPAC1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
SMILESCCOc1ccccc1SC(C)(CCc1ccc(F)cc1)Cn1ccnc1
InChIInChI=1S/C22H25FN2OS/c1-3-26-20-6-4-5-7-21(20)27-22(2,16-25-15-14-24-17-25)13-12-18-8-10-19(23)11-9-18/h4-11,14-15,17H,3,12-13,16H2,1-2H3
InChIKeyRMFCNWVZVHRGBX-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.60
Rot. Bonds9

About 1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole

1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole (PubChem CID 22762834) has the molecular formula C22H25FN2OS and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
PubChem CID22762834
Molecular FormulaC22H25FN2OS
Molecular Weight384.52 g/mol
Exact Mass384.17
IUPAC Name1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
SMILESCCOc1ccccc1SC(C)(CCc1ccc(F)cc1)Cn1ccnc1
InChIInChI=1S/C22H25FN2OS/c1-3-26-20-6-4-5-7-21(20)27-22(2,16-25-15-14-24-17-25)13-12-18-8-10-19(23)11-9-18/h4-11,14-15,17H,3,12-13,16H2,1-2H3
InChIKeyRMFCNWVZVHRGBX-UHFFFAOYSA-N
XLogP5.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-difluorophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762956
1-[2-(2,4-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22763057
1-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762948
1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole
CID 22762805
1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)hexan-3-ol
CID 22762796
1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole
CID 22762943
1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol
CID 22762885
1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole
CID 22763065
1-[2-(4-bromophenyl)sulfanyl-4-(4-chlorophenyl)-2-methylbutyl]imidazole
CID 22762995
1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole
CID 22762814
1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol
CID 22762802
1-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methoxy]-2-methylbutyl]imidazole
CID 22763007

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole?
The IUPAC name of 1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole (CID 22762834) is 1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole.
What is the SMILES notation for 1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole?
The canonical SMILES for 1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole is CCOc1ccccc1SC(C)(CCc1ccc(F)cc1)Cn1ccnc1.
What is the InChIKey of 1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole?
The InChIKey is RMFCNWVZVHRGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2OS/c1-3-26-20-6-4-5-7-21(20)27-22(2,16-25-15-14-24-17-25)13-12-18-8-10-19(23)11-9-18/h4-11,14-15,17H,3,12-13,16H2,1-2H3.
What are the key properties of 1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole?
1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole has a molecular weight of 384.52 g/mol, XLogP of 5.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole is sourced from PubChem (CID 22762834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).