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

C18H16ClFN2OS — CID 22576369

IUPAC[2-[(2-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2ccccc2Cl)n1Cc1ccc(F)cc1
InChIInChI=1S/C18H16ClFN2OS/c19-17-4-2-1-3-14(17)12-24-18-21-9-16(11-23)22(18)10-13-5-7-15(20)8-6-13/h1-9,23H,10-12H2
InChIKeyLKXVLSXMPAVHEN-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.51
Rot. Bonds6

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

[2-[(2-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol (PubChem CID 22576369) has the molecular formula C18H16ClFN2OS and a molecular weight of 362.86 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol
PubChem CID22576369
Molecular FormulaC18H16ClFN2OS
Molecular Weight362.86 g/mol
Exact Mass362.07
IUPAC Name[2-[(2-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2ccccc2Cl)n1Cc1ccc(F)cc1
InChIInChI=1S/C18H16ClFN2OS/c19-17-4-2-1-3-14(17)12-24-18-21-9-16(11-23)22(18)10-13-5-7-15(20)8-6-13/h1-9,23H,10-12H2
InChIKeyLKXVLSXMPAVHEN-UHFFFAOYSA-N
XLogP4.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(2-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]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 [2-[(2-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol?
The IUPAC name of [2-[(2-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol (CID 22576369) is [2-[(2-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [2-[(2-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol?
The canonical SMILES for [2-[(2-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol is OCc1cnc(SCc2ccccc2Cl)n1Cc1ccc(F)cc1.
What is the InChIKey of [2-[(2-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol?
The InChIKey is LKXVLSXMPAVHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2OS/c19-17-4-2-1-3-14(17)12-24-18-21-9-16(11-23)22(18)10-13-5-7-15(20)8-6-13/h1-9,23H,10-12H2.
What are the key properties of [2-[(2-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol?
[2-[(2-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol has a molecular weight of 362.86 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 22576369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).