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

C13H15F2N3O — CID 79103288

IUPACcyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanol
SMILESOC(c1ccn(Cc2nccn2C(F)F)c1)C1CC1
InChIInChI=1S/C13H15F2N3O/c14-13(15)18-6-4-16-11(18)8-17-5-3-10(7-17)12(19)9-1-2-9/h3-7,9,12-13,19H,1-2,8H2
InChIKeyNVHUVIMRQSJUPH-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.57
Rot. Bonds5

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

cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanol (PubChem CID 79103288) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanol
PubChem CID79103288
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namecyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanol
SMILESOC(c1ccn(Cc2nccn2C(F)F)c1)C1CC1
InChIInChI=1S/C13H15F2N3O/c14-13(15)18-6-4-16-11(18)8-17-5-3-10(7-17)12(19)9-1-2-9/h3-7,9,12-13,19H,1-2,8H2
InChIKeyNVHUVIMRQSJUPH-UHFFFAOYSA-N
XLogP2.57
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
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]methanol?
The IUPAC name of cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanol (CID 79103288) is cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanol.
What is the SMILES notation for cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanol?
The canonical SMILES for cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanol is OC(c1ccn(Cc2nccn2C(F)F)c1)C1CC1.
What is the InChIKey of cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanol?
The InChIKey is NVHUVIMRQSJUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c14-13(15)18-6-4-16-11(18)8-17-5-3-10(7-17)12(19)9-1-2-9/h3-7,9,12-13,19H,1-2,8H2.
What are the key properties of cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanol?
cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanol has a molecular weight of 267.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 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]methanol is sourced from PubChem (CID 79103288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).