1-(difluoromethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzimidazole

C18H14F2N4S — CID 35040384

IUPAC1-(difluoromethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzimidazole
SMILESFC(F)n1c(CSc2ncc(-c3ccccc3)[nH]2)nc2ccccc21
InChIInChI=1S/C18H14F2N4S/c19-17(20)24-15-9-5-4-8-13(15)22-16(24)11-25-18-21-10-14(23-18)12-6-2-1-3-7-12/h1-10,17H,11H2,(H,21,23)
InChIKeyDDGSHVDIFNMBFS-UHFFFAOYSA-N
MW356.40 g/mol
LogP5.11
Rot. Bonds5

About 1-(difluoromethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzimidazole

1-(difluoromethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzimidazole (PubChem CID 35040384) has the molecular formula C18H14F2N4S and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzimidazole
PubChem CID35040384
Molecular FormulaC18H14F2N4S
Molecular Weight356.40 g/mol
Exact Mass356.09
IUPAC Name1-(difluoromethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzimidazole
SMILESFC(F)n1c(CSc2ncc(-c3ccccc3)[nH]2)nc2ccccc21
InChIInChI=1S/C18H14F2N4S/c19-17(20)24-15-9-5-4-8-13(15)22-16(24)11-25-18-21-10-14(23-18)12-6-2-1-3-7-12/h1-10,17H,11H2,(H,21,23)
InChIKeyDDGSHVDIFNMBFS-UHFFFAOYSA-N
XLogP5.11
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.40
LogP ≤ 55.11
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-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzimidazole?
The IUPAC name of 1-(difluoromethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzimidazole (CID 35040384) is 1-(difluoromethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzimidazole?
The canonical SMILES for 1-(difluoromethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzimidazole is FC(F)n1c(CSc2ncc(-c3ccccc3)[nH]2)nc2ccccc21.
What is the InChIKey of 1-(difluoromethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzimidazole?
The InChIKey is DDGSHVDIFNMBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4S/c19-17(20)24-15-9-5-4-8-13(15)22-16(24)11-25-18-21-10-14(23-18)12-6-2-1-3-7-12/h1-10,17H,11H2,(H,21,23).
What are the key properties of 1-(difluoromethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzimidazole?
1-(difluoromethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzimidazole has a molecular weight of 356.40 g/mol, XLogP of 5.11, 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-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzimidazole is sourced from PubChem (CID 35040384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).