2-[4-(difluoromethylsulfanyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C13H12F2N2S — CID 7116385

IUPAC2-[4-(difluoromethylsulfanyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESFC(F)Sc1ccc(-c2cn3c(n2)CCC3)cc1
InChIInChI=1S/C13H12F2N2S/c14-13(15)18-10-5-3-9(4-6-10)11-8-17-7-1-2-12(17)16-11/h3-6,8,13H,1-2,7H2
InChIKeyJEHPKTWPYWVQDS-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.81
Rot. Bonds3

About 2-[4-(difluoromethylsulfanyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

2-[4-(difluoromethylsulfanyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 7116385) has the molecular formula C13H12F2N2S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfanyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfanyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID7116385
Molecular FormulaC13H12F2N2S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-[4-(difluoromethylsulfanyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESFC(F)Sc1ccc(-c2cn3c(n2)CCC3)cc1
InChIInChI=1S/C13H12F2N2S/c14-13(15)18-10-5-3-9(4-6-10)11-8-17-7-1-2-12(17)16-11/h3-6,8,13H,1-2,7H2
InChIKeyJEHPKTWPYWVQDS-UHFFFAOYSA-N
XLogP3.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfanyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2-[4-(difluoromethylsulfanyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 7116385) is 2-[4-(difluoromethylsulfanyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2-[4-(difluoromethylsulfanyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2-[4-(difluoromethylsulfanyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is FC(F)Sc1ccc(-c2cn3c(n2)CCC3)cc1.
What is the InChIKey of 2-[4-(difluoromethylsulfanyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is JEHPKTWPYWVQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2S/c14-13(15)18-10-5-3-9(4-6-10)11-8-17-7-1-2-12(17)16-11/h3-6,8,13H,1-2,7H2.
What are the key properties of 2-[4-(difluoromethylsulfanyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
2-[4-(difluoromethylsulfanyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 266.32 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfanyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 7116385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).