1-(2,2-difluorocyclopentyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)methanesulfonamide

C13H19F2N3O2S — CID 128587614

IUPAC1-(2,2-difluorocyclopentyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)methanesulfonamide
SMILESCC1CC(NS(=O)(=O)CC2CCCC2(F)F)c2nccn21
InChIInChI=1S/C13H19F2N3O2S/c1-9-7-11(12-16-5-6-18(9)12)17-21(19,20)8-10-3-2-4-13(10,14)15/h5-6,9-11,17H,2-4,7-8H2,1H3
InChIKeyMUXFPBNBIXQKQM-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.24
Rot. Bonds4

About 1-(2,2-difluorocyclopentyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)methanesulfonamide

1-(2,2-difluorocyclopentyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)methanesulfonamide (PubChem CID 128587614) has the molecular formula C13H19F2N3O2S and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-(2,2-difluorocyclopentyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2,2-difluorocyclopentyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)methanesulfonamide
PubChem CID128587614
Molecular FormulaC13H19F2N3O2S
Molecular Weight319.38 g/mol
Exact Mass319.12
IUPAC Name1-(2,2-difluorocyclopentyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)methanesulfonamide
SMILESCC1CC(NS(=O)(=O)CC2CCCC2(F)F)c2nccn21
InChIInChI=1S/C13H19F2N3O2S/c1-9-7-11(12-16-5-6-18(9)12)17-21(19,20)8-10-3-2-4-13(10,14)15/h5-6,9-11,17H,2-4,7-8H2,1H3
InChIKeyMUXFPBNBIXQKQM-UHFFFAOYSA-N
XLogP2.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocyclopentyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)methanesulfonamide?
The IUPAC name of 1-(2,2-difluorocyclopentyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)methanesulfonamide (CID 128587614) is 1-(2,2-difluorocyclopentyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)methanesulfonamide.
What is the SMILES notation for 1-(2,2-difluorocyclopentyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)methanesulfonamide?
The canonical SMILES for 1-(2,2-difluorocyclopentyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)methanesulfonamide is CC1CC(NS(=O)(=O)CC2CCCC2(F)F)c2nccn21.
What is the InChIKey of 1-(2,2-difluorocyclopentyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)methanesulfonamide?
The InChIKey is MUXFPBNBIXQKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2S/c1-9-7-11(12-16-5-6-18(9)12)17-21(19,20)8-10-3-2-4-13(10,14)15/h5-6,9-11,17H,2-4,7-8H2,1H3.
What are the key properties of 1-(2,2-difluorocyclopentyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)methanesulfonamide?
1-(2,2-difluorocyclopentyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)methanesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclopentyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)methanesulfonamide is sourced from PubChem (CID 128587614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).