methyl 5-[[1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate

C18H17FN2O4S — CID 16813697

IUPACmethyl 5-[[1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccc(F)cc2)o1
InChIInChI=1S/C18H17FN2O4S/c1-24-17(23)16-7-6-15(25-16)11-26-18-20-8-14(10-22)21(18)9-12-2-4-13(19)5-3-12/h2-8,22H,9-11H2,1H3
InChIKeyZCFCJRDRFAHBJL-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.23
Rot. Bonds7

About methyl 5-[[1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate

methyl 5-[[1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate (PubChem CID 16813697) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl 5-[[1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate
PubChem CID16813697
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Namemethyl 5-[[1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccc(F)cc2)o1
InChIInChI=1S/C18H17FN2O4S/c1-24-17(23)16-7-6-15(25-16)11-26-18-20-8-14(10-22)21(18)9-12-2-4-13(19)5-3-12/h2-8,22H,9-11H2,1H3
InChIKeyZCFCJRDRFAHBJL-UHFFFAOYSA-N
XLogP3.23
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate 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 methyl 5-[[1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate (CID 16813697) is methyl 5-[[1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate is COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccc(F)cc2)o1.
What is the InChIKey of methyl 5-[[1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate?
The InChIKey is ZCFCJRDRFAHBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-24-17(23)16-7-6-15(25-16)11-26-18-20-8-14(10-22)21(18)9-12-2-4-13(19)5-3-12/h2-8,22H,9-11H2,1H3.
What are the key properties of methyl 5-[[1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate?
methyl 5-[[1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate is sourced from PubChem (CID 16813697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).