2-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)imidazole

C9H9F3N4 — CID 56916971

IUPAC2-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)imidazole
SMILESCc1[nH]cnc1-c1nccn1CC(F)(F)F
InChIInChI=1S/C9H9F3N4/c1-6-7(15-5-14-6)8-13-2-3-16(8)4-9(10,11)12/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyBAYJSQSZOMMJJX-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.14
Rot. Bonds2

About 2-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)imidazole

2-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)imidazole (PubChem CID 56916971) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)imidazole.

Molecular Properties

Compound Name2-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)imidazole
PubChem CID56916971
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name2-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)imidazole
SMILESCc1[nH]cnc1-c1nccn1CC(F)(F)F
InChIInChI=1S/C9H9F3N4/c1-6-7(15-5-14-6)8-13-2-3-16(8)4-9(10,11)12/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyBAYJSQSZOMMJJX-UHFFFAOYSA-N
XLogP2.14
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

MAT-POS-ea426761-49
CID 56864220
2-(4-1H-imidazolyl)-4-trifluoromethyl-1H-imidazole
CID 10488302
4-Trifluoromethyl-2,2'-bi[1H-imidazole]
CID 13663747
2-(1H-imidazol-2-yl)-5-methyl-1H-imidazole
CID 44339795
5-(1H-imidazol-2-yl)-1H-imidazole-4-carbonitrile
CID 44339716
[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methanamine
CID 44339734
1-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56706438
N,N-dimethyl-3-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)propan-1-amine
CID 56754685
N,N-diethyl-2-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)ethanamine
CID 56758299
1-(2-methoxyethyl)-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56873208
1-[(1-cyclopentylpiperidin-4-yl)methyl]-2'-ethyl-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56878441
N-methyl-N-[2-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)ethyl]methanesulfonamide
CID 70754226

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)imidazole?
The IUPAC name of 2-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)imidazole (CID 56916971) is 2-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)imidazole.
What is the SMILES notation for 2-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)imidazole?
The canonical SMILES for 2-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)imidazole is Cc1[nH]cnc1-c1nccn1CC(F)(F)F.
What is the InChIKey of 2-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)imidazole?
The InChIKey is BAYJSQSZOMMJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c1-6-7(15-5-14-6)8-13-2-3-16(8)4-9(10,11)12/h2-3,5H,4H2,1H3,(H,14,15).
What are the key properties of 2-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)imidazole?
2-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)imidazole has a molecular weight of 230.19 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)imidazole is sourced from PubChem (CID 56916971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).