2-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]benzamide

C26H21Cl3FN3OS — CID 66741170

IUPAC2-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]benzamide
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(SCc2ccc(C(N)=O)c(Cl)c2)n1-c1ccc(F)cc1
InChIInChI=1S/C26H21Cl3FN3OS/c1-26(2,16-4-10-20(27)22(29)12-16)23-13-32-25(33(23)18-7-5-17(30)6-8-18)35-14-15-3-9-19(24(31)34)21(28)11-15/h3-13H,14H2,1-2H3,(H2,31,34)
InChIKeyPCMXIHWSKFQYCA-UHFFFAOYSA-N
MW548.90 g/mol
LogP7.69
Rot. Bonds7

About 2-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]benzamide

2-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]benzamide (PubChem CID 66741170) has the molecular formula C26H21Cl3FN3OS and a molecular weight of 548.90 g/mol. Its IUPAC name is 2-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]benzamide
PubChem CID66741170
Molecular FormulaC26H21Cl3FN3OS
Molecular Weight548.90 g/mol
Exact Mass547.05
IUPAC Name2-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]benzamide
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(SCc2ccc(C(N)=O)c(Cl)c2)n1-c1ccc(F)cc1
InChIInChI=1S/C26H21Cl3FN3OS/c1-26(2,16-4-10-20(27)22(29)12-16)23-13-32-25(33(23)18-7-5-17(30)6-8-18)35-14-15-3-9-19(24(31)34)21(28)11-15/h3-13H,14H2,1-2H3,(H2,31,34)
InChIKeyPCMXIHWSKFQYCA-UHFFFAOYSA-N
XLogP7.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.90
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
CID 150578300
2-[2-chloro-5-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]propan-2-ol
CID 66740792
2-[5-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-2-fluorophenoxy]-2-methylpropanoic acid
CID 66740131
2-[(3-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
CID 46908742
4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-3,5-difluoro-N-hydroxybenzamide
CID 87131643
5-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-2-fluoro-N-[2-(3H-pyrrol-5-yl)ethyl]benzamide
CID 159185656
1-[4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidin-1-yl]ethanone
CID 66740154
5-[[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-2-[3-(diaminomethylideneamino)propyl]benzoic acid
CID 66740947
N'-diazenyl-5-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-2-[2-(ethylamino)ethoxy]benzenecarboximidamide
CID 136651752
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
CID 66741222
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
CID 46908550
2-chloro-4-[2-[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazol-4-yl]propan-2-yl]benzonitrile
CID 66740000

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]benzamide?
The IUPAC name of 2-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]benzamide (CID 66741170) is 2-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]benzamide.
What is the SMILES notation for 2-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]benzamide?
The canonical SMILES for 2-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]benzamide is CC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(SCc2ccc(C(N)=O)c(Cl)c2)n1-c1ccc(F)cc1.
What is the InChIKey of 2-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]benzamide?
The InChIKey is PCMXIHWSKFQYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl3FN3OS/c1-26(2,16-4-10-20(27)22(29)12-16)23-13-32-25(33(23)18-7-5-17(30)6-8-18)35-14-15-3-9-19(24(31)34)21(28)11-15/h3-13H,14H2,1-2H3,(H2,31,34).
What are the key properties of 2-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]benzamide?
2-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]benzamide has a molecular weight of 548.90 g/mol, XLogP of 7.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]benzamide is sourced from PubChem (CID 66741170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).