5-[3-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]pyrrolidin-1-yl]-4H-triazole

C25H25Cl2FN6S — CID 159680588

IUPAC5-[3-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]pyrrolidin-1-yl]-4H-triazole
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(SCC2CCN(C3=NN=NC3)C2)n1-c1ccc(F)cc1
InChIInChI=1S/C25H25Cl2FN6S/c1-25(2,17-3-8-20(26)21(27)11-17)22-12-29-24(34(22)19-6-4-18(28)5-7-19)35-15-16-9-10-33(14-16)23-13-30-32-31-23/h3-8,11-12,16H,9-10,13-15H2,1-2H3
InChIKeyMVDUXAAEBZCNPH-UHFFFAOYSA-N
MW531.49 g/mol
LogP6.84
Rot. Bonds6

About 5-[3-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]pyrrolidin-1-yl]-4H-triazole

5-[3-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]pyrrolidin-1-yl]-4H-triazole (PubChem CID 159680588) has the molecular formula C25H25Cl2FN6S and a molecular weight of 531.49 g/mol. Its IUPAC name is 5-[3-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]pyrrolidin-1-yl]-4H-triazole.

Molecular Properties

Compound Name5-[3-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]pyrrolidin-1-yl]-4H-triazole
PubChem CID159680588
Molecular FormulaC25H25Cl2FN6S
Molecular Weight531.49 g/mol
Exact Mass530.12
IUPAC Name5-[3-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]pyrrolidin-1-yl]-4H-triazole
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(SCC2CCN(C3=NN=NC3)C2)n1-c1ccc(F)cc1
InChIInChI=1S/C25H25Cl2FN6S/c1-25(2,17-3-8-20(26)21(27)11-17)22-12-29-24(34(22)19-6-4-18(28)5-7-19)35-15-16-9-10-33(14-16)23-13-30-32-31-23/h3-8,11-12,16H,9-10,13-15H2,1-2H3
InChIKeyMVDUXAAEBZCNPH-UHFFFAOYSA-N
XLogP6.84
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.49
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]pyrrolidin-1-yl]-4H-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidin-1-yl]ethanone
CID 66740154
2-methylpropyl 3-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]pyrrolidine-1-carboxylate
CID 68790346
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-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]benzamide
CID 66741170
4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-3,5-difluoro-N-hydroxybenzamide
CID 87131643
5-[2-(3,4-dichlorophenyl)propan-2-yl]-1,2-bis(4-fluorophenyl)imidazole
CID 66739956
2-chloro-4-[2-[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazol-4-yl]propan-2-yl]benzonitrile
CID 66740000
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
CID 66741222
2-[1-(3,4-dichlorophenoxy)ethyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
CID 66740452
2-[5-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-2-fluorophenoxy]-2-methylpropanoic acid
CID 66740131
1-[3-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]sulfonyl-3-pyrrolidin-1-ylurea
CID 66740365

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]pyrrolidin-1-yl]-4H-triazole?
The IUPAC name of 5-[3-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]pyrrolidin-1-yl]-4H-triazole (CID 159680588) is 5-[3-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]pyrrolidin-1-yl]-4H-triazole.
What is the SMILES notation for 5-[3-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]pyrrolidin-1-yl]-4H-triazole?
The canonical SMILES for 5-[3-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]pyrrolidin-1-yl]-4H-triazole is CC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(SCC2CCN(C3=NN=NC3)C2)n1-c1ccc(F)cc1.
What is the InChIKey of 5-[3-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]pyrrolidin-1-yl]-4H-triazole?
The InChIKey is MVDUXAAEBZCNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2FN6S/c1-25(2,17-3-8-20(26)21(27)11-17)22-12-29-24(34(22)19-6-4-18(28)5-7-19)35-15-16-9-10-33(14-16)23-13-30-32-31-23/h3-8,11-12,16H,9-10,13-15H2,1-2H3.
What are the key properties of 5-[3-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]pyrrolidin-1-yl]-4H-triazole?
5-[3-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]pyrrolidin-1-yl]-4H-triazole has a molecular weight of 531.49 g/mol, XLogP of 6.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]pyrrolidin-1-yl]-4H-triazole is sourced from PubChem (CID 159680588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).