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

C9H13F2N3 — CID 84776198

IUPAC5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
SMILESFC(F)c1cnc(CC2CCNC2)[nH]1
InChIInChI=1S/C9H13F2N3/c10-9(11)7-5-13-8(14-7)3-6-1-2-12-4-6/h5-6,9,12H,1-4H2,(H,13,14)
InChIKeyOMQYKZFCKWEKDI-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.50
Rot. Bonds3

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

5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole (PubChem CID 84776198) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
PubChem CID84776198
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
SMILESFC(F)c1cnc(CC2CCNC2)[nH]1
InChIInChI=1S/C9H13F2N3/c10-9(11)7-5-13-8(14-7)3-6-1-2-12-4-6/h5-6,9,12H,1-4H2,(H,13,14)
InChIKeyOMQYKZFCKWEKDI-UHFFFAOYSA-N
XLogP1.50
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.50
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-ylmethyl)-1H-imidazole?
The IUPAC name of 5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole (CID 84776198) is 5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole.
What is the SMILES notation for 5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The canonical SMILES for 5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole is FC(F)c1cnc(CC2CCNC2)[nH]1.
What is the InChIKey of 5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The InChIKey is OMQYKZFCKWEKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c10-9(11)7-5-13-8(14-7)3-6-1-2-12-4-6/h5-6,9,12H,1-4H2,(H,13,14).
What are the key properties of 5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole?
5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole has a molecular weight of 201.22 g/mol, XLogP of 1.50, 3 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-ylmethyl)-1H-imidazole is sourced from PubChem (CID 84776198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).