[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazol-4-yl]methanol

C19H18ClFN2OS — CID 22576220

IUPAC[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazol-4-yl]methanol
SMILESCc1ccc(Cn2c(CO)cnc2SCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H18ClFN2OS/c1-13-5-7-14(8-6-13)10-23-15(11-24)9-22-19(23)25-12-16-17(20)3-2-4-18(16)21/h2-9,24H,10-12H2,1H3
InChIKeyVHOVHOKKMLMAHC-UHFFFAOYSA-N
MW376.88 g/mol
LogP4.82
Rot. Bonds6

About [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazol-4-yl]methanol

[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazol-4-yl]methanol (PubChem CID 22576220) has the molecular formula C19H18ClFN2OS and a molecular weight of 376.88 g/mol. Its IUPAC name is [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazol-4-yl]methanol
PubChem CID22576220
Molecular FormulaC19H18ClFN2OS
Molecular Weight376.88 g/mol
Exact Mass376.08
IUPAC Name[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazol-4-yl]methanol
SMILESCc1ccc(Cn2c(CO)cnc2SCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H18ClFN2OS/c1-13-5-7-14(8-6-13)10-23-15(11-24)9-22-19(23)25-12-16-17(20)3-2-4-18(16)21/h2-9,24H,10-12H2,1H3
InChIKeyVHOVHOKKMLMAHC-UHFFFAOYSA-N
XLogP4.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazol-4-yl]methanol?
The IUPAC name of [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazol-4-yl]methanol (CID 22576220) is [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazol-4-yl]methanol?
The canonical SMILES for [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazol-4-yl]methanol is Cc1ccc(Cn2c(CO)cnc2SCc2c(F)cccc2Cl)cc1.
What is the InChIKey of [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazol-4-yl]methanol?
The InChIKey is VHOVHOKKMLMAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2OS/c1-13-5-7-14(8-6-13)10-23-15(11-24)9-22-19(23)25-12-16-17(20)3-2-4-18(16)21/h2-9,24H,10-12H2,1H3.
What are the key properties of [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazol-4-yl]methanol?
[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazol-4-yl]methanol has a molecular weight of 376.88 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 22576220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).