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

C13H12F2N2O — CID 44574987

IUPAC6-[2-(difluoromethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESFC(F)Oc1ccccc1C1Cc2nccn2C1
InChIInChI=1S/C13H12F2N2O/c14-13(15)18-11-4-2-1-3-10(11)9-7-12-16-5-6-17(12)8-9/h1-6,9,13H,7-8H2
InChIKeyDCZFXJLVCNQIPP-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.82
Rot. Bonds3

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

6-[2-(difluoromethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 44574987) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 6-[2-(difluoromethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name6-[2-(difluoromethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID44574987
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name6-[2-(difluoromethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESFC(F)Oc1ccccc1C1Cc2nccn2C1
InChIInChI=1S/C13H12F2N2O/c14-13(15)18-11-4-2-1-3-10(11)9-7-12-16-5-6-17(12)8-9/h1-6,9,13H,7-8H2
InChIKeyDCZFXJLVCNQIPP-UHFFFAOYSA-N
XLogP2.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(difluoromethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 6-[2-(difluoromethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 44574987) is 6-[2-(difluoromethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 6-[2-(difluoromethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 6-[2-(difluoromethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is FC(F)Oc1ccccc1C1Cc2nccn2C1.
What is the InChIKey of 6-[2-(difluoromethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is DCZFXJLVCNQIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c14-13(15)18-11-4-2-1-3-10(11)9-7-12-16-5-6-17(12)8-9/h1-6,9,13H,7-8H2.
What are the key properties of 6-[2-(difluoromethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
6-[2-(difluoromethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 250.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(difluoromethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 44574987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).