N-[4-(difluoromethylsulfanyl)phenyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide

C17H14F2N4S2 — CID 24501834

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide
SMILESFC(F)Sc1ccc(NC(=S)N2CCn3c2nc2ccccc23)cc1
InChIInChI=1S/C17H14F2N4S2/c18-15(19)25-12-7-5-11(6-8-12)20-17(24)23-10-9-22-14-4-2-1-3-13(14)21-16(22)23/h1-8,15H,9-10H2,(H,20,24)
InChIKeyQWPYYTYTSOCCDZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.57
Rot. Bonds3

About N-[4-(difluoromethylsulfanyl)phenyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide

N-[4-(difluoromethylsulfanyl)phenyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide (PubChem CID 24501834) has the molecular formula C17H14F2N4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide
PubChem CID24501834
Molecular FormulaC17H14F2N4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide
SMILESFC(F)Sc1ccc(NC(=S)N2CCn3c2nc2ccccc23)cc1
InChIInChI=1S/C17H14F2N4S2/c18-15(19)25-12-7-5-11(6-8-12)20-17(24)23-10-9-22-14-4-2-1-3-13(14)21-16(22)23/h1-8,15H,9-10H2,(H,20,24)
InChIKeyQWPYYTYTSOCCDZ-UHFFFAOYSA-N
XLogP4.57
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide (CID 24501834) is N-[4-(difluoromethylsulfanyl)phenyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide is FC(F)Sc1ccc(NC(=S)N2CCn3c2nc2ccccc23)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide?
The InChIKey is QWPYYTYTSOCCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4S2/c18-15(19)25-12-7-5-11(6-8-12)20-17(24)23-10-9-22-14-4-2-1-3-13(14)21-16(22)23/h1-8,15H,9-10H2,(H,20,24).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide?
N-[4-(difluoromethylsulfanyl)phenyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide has a molecular weight of 376.46 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide is sourced from PubChem (CID 24501834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).