1-[1-(2,4-difluorophenyl)sulfanyl-2-methoxyethyl]imidazole

C12H12F2N2OS — CID 54117956

IUPAC1-[1-(2,4-difluorophenyl)sulfanyl-2-methoxyethyl]imidazole
SMILESCOCC(Sc1ccc(F)cc1F)n1ccnc1
InChIInChI=1S/C12H12F2N2OS/c1-17-7-12(16-5-4-15-8-16)18-11-3-2-9(13)6-10(11)14/h2-6,8,12H,7H2,1H3
InChIKeyNLRDJSVLCRXBRR-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.10
Rot. Bonds5

About 1-[1-(2,4-difluorophenyl)sulfanyl-2-methoxyethyl]imidazole

1-[1-(2,4-difluorophenyl)sulfanyl-2-methoxyethyl]imidazole (PubChem CID 54117956) has the molecular formula C12H12F2N2OS and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)sulfanyl-2-methoxyethyl]imidazole.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)sulfanyl-2-methoxyethyl]imidazole
PubChem CID54117956
Molecular FormulaC12H12F2N2OS
Molecular Weight270.30 g/mol
Exact Mass270.06
IUPAC Name1-[1-(2,4-difluorophenyl)sulfanyl-2-methoxyethyl]imidazole
SMILESCOCC(Sc1ccc(F)cc1F)n1ccnc1
InChIInChI=1S/C12H12F2N2OS/c1-17-7-12(16-5-4-15-8-16)18-11-3-2-9(13)6-10(11)14/h2-6,8,12H,7H2,1H3
InChIKeyNLRDJSVLCRXBRR-UHFFFAOYSA-N
XLogP3.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)sulfanyl-2-methoxyethyl]imidazole?
The IUPAC name of 1-[1-(2,4-difluorophenyl)sulfanyl-2-methoxyethyl]imidazole (CID 54117956) is 1-[1-(2,4-difluorophenyl)sulfanyl-2-methoxyethyl]imidazole.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)sulfanyl-2-methoxyethyl]imidazole?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)sulfanyl-2-methoxyethyl]imidazole is COCC(Sc1ccc(F)cc1F)n1ccnc1.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)sulfanyl-2-methoxyethyl]imidazole?
The InChIKey is NLRDJSVLCRXBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2OS/c1-17-7-12(16-5-4-15-8-16)18-11-3-2-9(13)6-10(11)14/h2-6,8,12H,7H2,1H3.
What are the key properties of 1-[1-(2,4-difluorophenyl)sulfanyl-2-methoxyethyl]imidazole?
1-[1-(2,4-difluorophenyl)sulfanyl-2-methoxyethyl]imidazole has a molecular weight of 270.30 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)sulfanyl-2-methoxyethyl]imidazole is sourced from PubChem (CID 54117956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).