cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanone

C13H13F2N3O — CID 79097738

IUPACcyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanone
SMILESO=C(c1ccn(Cc2nccn2C(F)F)c1)C1CC1
InChIInChI=1S/C13H13F2N3O/c14-13(15)18-6-4-16-11(18)8-17-5-3-10(7-17)12(19)9-1-2-9/h3-7,9,13H,1-2,8H2
InChIKeyATUOMIDGKAHDTR-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.72
Rot. Bonds5

About cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanone

cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanone (PubChem CID 79097738) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanone
PubChem CID79097738
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Namecyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanone
SMILESO=C(c1ccn(Cc2nccn2C(F)F)c1)C1CC1
InChIInChI=1S/C13H13F2N3O/c14-13(15)18-6-4-16-11(18)8-17-5-3-10(7-17)12(19)9-1-2-9/h3-7,9,13H,1-2,8H2
InChIKeyATUOMIDGKAHDTR-UHFFFAOYSA-N
XLogP2.72
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanone (CID 79097738) is cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanone is O=C(c1ccn(Cc2nccn2C(F)F)c1)C1CC1.
What is the InChIKey of cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanone?
The InChIKey is ATUOMIDGKAHDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c14-13(15)18-6-4-16-11(18)8-17-5-3-10(7-17)12(19)9-1-2-9/h3-7,9,13H,1-2,8H2.
What are the key properties of cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanone?
cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanone has a molecular weight of 265.26 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanone is sourced from PubChem (CID 79097738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).