2-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-imidazole

C7H5F3N4 — CID 10488302

IUPAC2-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1cnc(-c2cnc[nH]2)[nH]1
InChIInChI=1S/C7H5F3N4/c8-7(9,10)5-2-12-6(14-5)4-1-11-3-13-4/h1-3H,(H,11,13)(H,12,14)
InChIKeyFEJDFWPDLBQZEF-UHFFFAOYSA-N
MW202.14 g/mol
LogP1.82
Rot. Bonds1

About 2-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-imidazole

2-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-imidazole (PubChem CID 10488302) has the molecular formula C7H5F3N4 and a molecular weight of 202.14 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-imidazole
PubChem CID10488302
Molecular FormulaC7H5F3N4
Molecular Weight202.14 g/mol
Exact Mass202.05
IUPAC Name2-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1cnc(-c2cnc[nH]2)[nH]1
InChIInChI=1S/C7H5F3N4/c8-7(9,10)5-2-12-6(14-5)4-1-11-3-13-4/h1-3H,(H,11,13)(H,12,14)
InChIKeyFEJDFWPDLBQZEF-UHFFFAOYSA-N
XLogP1.82
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-imidazole (CID 10488302) is 2-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-imidazole is FC(F)(F)c1cnc(-c2cnc[nH]2)[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is FEJDFWPDLBQZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4/c8-7(9,10)5-2-12-6(14-5)4-1-11-3-13-4/h1-3H,(H,11,13)(H,12,14).
What are the key properties of 2-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-imidazole?
2-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 202.14 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 10488302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).