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

C7H4BrF3N4 — CID 23199633

IUPAC2-(5-bromo-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1cnc(-c2ncc(Br)[nH]2)[nH]1
InChIInChI=1S/C7H4BrF3N4/c8-4-2-13-6(15-4)5-12-1-3(14-5)7(9,10)11/h1-2H,(H,12,14)(H,13,15)
InChIKeyQKBBIVCYAUYWKO-UHFFFAOYSA-N
MW281.04 g/mol
LogP2.58
Rot. Bonds1

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

2-(5-bromo-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-imidazole (PubChem CID 23199633) has the molecular formula C7H4BrF3N4 and a molecular weight of 281.04 g/mol. Its IUPAC name is 2-(5-bromo-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(5-bromo-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-imidazole
PubChem CID23199633
Molecular FormulaC7H4BrF3N4
Molecular Weight281.04 g/mol
Exact Mass279.96
IUPAC Name2-(5-bromo-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1cnc(-c2ncc(Br)[nH]2)[nH]1
InChIInChI=1S/C7H4BrF3N4/c8-4-2-13-6(15-4)5-12-1-3(14-5)7(9,10)11/h1-2H,(H,12,14)(H,13,15)
InChIKeyQKBBIVCYAUYWKO-UHFFFAOYSA-N
XLogP2.58
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.04
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-5-(trifluoromethyl)-1H-imidazole
CID 591635
2-(4-1H-imidazolyl)-4-trifluoromethyl-1H-imidazole
CID 10488302
4-Trifluoromethyl-2,2'-bi[1H-imidazole]
CID 13663747
2-(1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile
CID 13663754
2-(5-bromo-1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile
CID 23199634
2-(1H-imidazol-2-yl)-5-methyl-1H-imidazole
CID 44339795
2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-imidazole-5-carbonitrile
CID 44339864
5-Methyl-2-(trifluoromethyl)-1H-imidazole
CID 591585
4-(trifluoromethyl)-1H-imidazol-2-amine hydrochloride
CID 91663038
[4-(trifluoromethyl)-1H-imidazol-2-yl]methanamine dihydrochloride
CID 119030846
2-bromo-5-(trifluoromethyl)-1H-imidazole hydrobromide
CID 132398814
2-(5-cyano-1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile
CID 13663763

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-(5-bromo-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-imidazole (CID 23199633) is 2-(5-bromo-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-(5-bromo-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-(5-bromo-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-imidazole is FC(F)(F)c1cnc(-c2ncc(Br)[nH]2)[nH]1.
What is the InChIKey of 2-(5-bromo-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is QKBBIVCYAUYWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3N4/c8-4-2-13-6(15-4)5-12-1-3(14-5)7(9,10)11/h1-2H,(H,12,14)(H,13,15).
What are the key properties of 2-(5-bromo-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-imidazole?
2-(5-bromo-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 281.04 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 23199633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).