1-(difluoromethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]imidazole

C14H11F3N4S — CID 24562217

IUPAC1-(difluoromethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]imidazole
SMILESFc1ccc(-c2cnc(SCc3nccn3C(F)F)[nH]2)cc1
InChIInChI=1S/C14H11F3N4S/c15-10-3-1-9(2-4-10)11-7-19-14(20-11)22-8-12-18-5-6-21(12)13(16)17/h1-7,13H,8H2,(H,19,20)
InChIKeyLTBLRDHGWDXARX-UHFFFAOYSA-N
MW324.33 g/mol
LogP4.10
Rot. Bonds5

About 1-(difluoromethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]imidazole

1-(difluoromethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]imidazole (PubChem CID 24562217) has the molecular formula C14H11F3N4S and a molecular weight of 324.33 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]imidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]imidazole
PubChem CID24562217
Molecular FormulaC14H11F3N4S
Molecular Weight324.33 g/mol
Exact Mass324.07
IUPAC Name1-(difluoromethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]imidazole
SMILESFc1ccc(-c2cnc(SCc3nccn3C(F)F)[nH]2)cc1
InChIInChI=1S/C14H11F3N4S/c15-10-3-1-9(2-4-10)11-7-19-14(20-11)22-8-12-18-5-6-21(12)13(16)17/h1-7,13H,8H2,(H,19,20)
InChIKeyLTBLRDHGWDXARX-UHFFFAOYSA-N
XLogP4.10
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]imidazole?
The IUPAC name of 1-(difluoromethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]imidazole (CID 24562217) is 1-(difluoromethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]imidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]imidazole?
The canonical SMILES for 1-(difluoromethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]imidazole is Fc1ccc(-c2cnc(SCc3nccn3C(F)F)[nH]2)cc1.
What is the InChIKey of 1-(difluoromethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]imidazole?
The InChIKey is LTBLRDHGWDXARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4S/c15-10-3-1-9(2-4-10)11-7-19-14(20-11)22-8-12-18-5-6-21(12)13(16)17/h1-7,13H,8H2,(H,19,20).
What are the key properties of 1-(difluoromethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]imidazole?
1-(difluoromethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]imidazole has a molecular weight of 324.33 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]imidazole is sourced from PubChem (CID 24562217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).