[3-[(4-chlorophenyl)methyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]imidazol-4-yl]methanol

C18H15Cl3N2OS — CID 41318722

IUPAC[3-[(4-chlorophenyl)methyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2ccc(Cl)c(Cl)c2)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H15Cl3N2OS/c19-14-4-1-12(2-5-14)9-23-15(10-24)8-22-18(23)25-11-13-3-6-16(20)17(21)7-13/h1-8,24H,9-11H2
InChIKeySRXYQCBONPFIOS-UHFFFAOYSA-N
MW413.76 g/mol
LogP5.68
Rot. Bonds6

About [3-[(4-chlorophenyl)methyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]imidazol-4-yl]methanol

[3-[(4-chlorophenyl)methyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]imidazol-4-yl]methanol (PubChem CID 41318722) has the molecular formula C18H15Cl3N2OS and a molecular weight of 413.76 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)methyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)methyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]imidazol-4-yl]methanol
PubChem CID41318722
Molecular FormulaC18H15Cl3N2OS
Molecular Weight413.76 g/mol
Exact Mass412.00
IUPAC Name[3-[(4-chlorophenyl)methyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2ccc(Cl)c(Cl)c2)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H15Cl3N2OS/c19-14-4-1-12(2-5-14)9-23-15(10-24)8-22-18(23)25-11-13-3-6-16(20)17(21)7-13/h1-8,24H,9-11H2
InChIKeySRXYQCBONPFIOS-UHFFFAOYSA-N
XLogP5.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.76
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(4-chlorophenyl)methyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]imidazol-4-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)methyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]imidazol-4-yl]methanol?
The IUPAC name of [3-[(4-chlorophenyl)methyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]imidazol-4-yl]methanol (CID 41318722) is [3-[(4-chlorophenyl)methyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[(4-chlorophenyl)methyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[(4-chlorophenyl)methyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]imidazol-4-yl]methanol is OCc1cnc(SCc2ccc(Cl)c(Cl)c2)n1Cc1ccc(Cl)cc1.
What is the InChIKey of [3-[(4-chlorophenyl)methyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]imidazol-4-yl]methanol?
The InChIKey is SRXYQCBONPFIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3N2OS/c19-14-4-1-12(2-5-14)9-23-15(10-24)8-22-18(23)25-11-13-3-6-16(20)17(21)7-13/h1-8,24H,9-11H2.
What are the key properties of [3-[(4-chlorophenyl)methyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]imidazol-4-yl]methanol?
[3-[(4-chlorophenyl)methyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]imidazol-4-yl]methanol has a molecular weight of 413.76 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)methyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]imidazol-4-yl]methanol is sourced from PubChem (CID 41318722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).