5-(difluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole

C8H11F2N3 — CID 84770312

IUPAC5-(difluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole
SMILESFC(F)c1cnc(C2CCNC2)[nH]1
InChIInChI=1S/C8H11F2N3/c9-7(10)6-4-12-8(13-6)5-1-2-11-3-5/h4-5,7,11H,1-3H2,(H,12,13)
InChIKeyUMQKBSWRGXYZQJ-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.42
Rot. Bonds2

About 5-(difluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole

5-(difluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole (PubChem CID 84770312) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole.

Molecular Properties

Compound Name5-(difluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole
PubChem CID84770312
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name5-(difluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole
SMILESFC(F)c1cnc(C2CCNC2)[nH]1
InChIInChI=1S/C8H11F2N3/c9-7(10)6-4-12-8(13-6)5-1-2-11-3-5/h4-5,7,11H,1-3H2,(H,12,13)
InChIKeyUMQKBSWRGXYZQJ-UHFFFAOYSA-N
XLogP1.42
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole?
The IUPAC name of 5-(difluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole (CID 84770312) is 5-(difluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole.
What is the SMILES notation for 5-(difluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole?
The canonical SMILES for 5-(difluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole is FC(F)c1cnc(C2CCNC2)[nH]1.
What is the InChIKey of 5-(difluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole?
The InChIKey is UMQKBSWRGXYZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c9-7(10)6-4-12-8(13-6)5-1-2-11-3-5/h4-5,7,11H,1-3H2,(H,12,13).
What are the key properties of 5-(difluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole?
5-(difluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole has a molecular weight of 187.19 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole is sourced from PubChem (CID 84770312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).