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

C24H29FN2S — CID 22762948

IUPAC1-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
SMILESCC(CCc1ccc(F)cc1)(Cn1ccnc1)Sc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H29FN2S/c1-23(2,3)20-7-11-22(12-8-20)28-24(4,17-27-16-15-26-18-27)14-13-19-5-9-21(25)10-6-19/h5-12,15-16,18H,13-14,17H2,1-4H3
InChIKeyJLIAJZQGRVJKFR-UHFFFAOYSA-N
MW396.58 g/mol
LogP6.50
Rot. Bonds7

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

1-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole (PubChem CID 22762948) has the molecular formula C24H29FN2S and a molecular weight of 396.58 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
PubChem CID22762948
Molecular FormulaC24H29FN2S
Molecular Weight396.58 g/mol
Exact Mass396.20
IUPAC Name1-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
SMILESCC(CCc1ccc(F)cc1)(Cn1ccnc1)Sc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H29FN2S/c1-23(2,3)20-7-11-22(12-8-20)28-24(4,17-27-16-15-26-18-27)14-13-19-5-9-21(25)10-6-19/h5-12,15-16,18H,13-14,17H2,1-4H3
InChIKeyJLIAJZQGRVJKFR-UHFFFAOYSA-N
XLogP6.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-difluorophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762956
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-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22763057
1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762834
1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole
CID 22762814
1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)hexan-3-ol
CID 22762796
1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol
CID 22762885
1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole
CID 22762805
1-[4-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-2-ethylbutyl]imidazole
CID 22762762
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole
CID 22762829
1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole
CID 22763018

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole?
The IUPAC name of 1-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole (CID 22762948) is 1-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole is CC(CCc1ccc(F)cc1)(Cn1ccnc1)Sc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole?
The InChIKey is JLIAJZQGRVJKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2S/c1-23(2,3)20-7-11-22(12-8-20)28-24(4,17-27-16-15-26-18-27)14-13-19-5-9-21(25)10-6-19/h5-12,15-16,18H,13-14,17H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole?
1-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole has a molecular weight of 396.58 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole is sourced from PubChem (CID 22762948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).