2-butyl-5-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]-1H-imidazole

C12H15F3N4 — CID 56864220

IUPAC2-butyl-5-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]-1H-imidazole
SMILESCCCCc1ncc(-c2nccn2CC(F)(F)F)[nH]1
InChIInChI=1S/C12H15F3N4/c1-2-3-4-10-17-7-9(18-10)11-16-5-6-19(11)8-12(13,14)15/h5-7H,2-4,8H2,1H3,(H,17,18)
InChIKeyCDXLHNKOWAMLPC-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.18
Rot. Bonds5

About 2-butyl-5-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]-1H-imidazole

2-butyl-5-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]-1H-imidazole (PubChem CID 56864220) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-butyl-5-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-butyl-5-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]-1H-imidazole
PubChem CID56864220
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name2-butyl-5-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]-1H-imidazole
SMILESCCCCc1ncc(-c2nccn2CC(F)(F)F)[nH]1
InChIInChI=1S/C12H15F3N4/c1-2-3-4-10-17-7-9(18-10)11-16-5-6-19(11)8-12(13,14)15/h5-7H,2-4,8H2,1H3,(H,17,18)
InChIKeyCDXLHNKOWAMLPC-UHFFFAOYSA-N
XLogP3.18
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,4-N-bis(3,3-difluorocyclopentyl)-6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 117817325
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 117817562
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-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-[(1-cyclopentylpiperidin-4-yl)methyl]-2'-ethyl-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56878441
2'-butyl-1-pyrrolidin-3-yl-1H,1'H-2,4'-biimidazole
CID 70717171
4-Amino-5-(imidazol-2-yl)imidazole
CID 126356
N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopropanamine
CID 50984119

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]-1H-imidazole?
The IUPAC name of 2-butyl-5-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]-1H-imidazole (CID 56864220) is 2-butyl-5-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]-1H-imidazole.
What is the SMILES notation for 2-butyl-5-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]-1H-imidazole?
The canonical SMILES for 2-butyl-5-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]-1H-imidazole is CCCCc1ncc(-c2nccn2CC(F)(F)F)[nH]1.
What is the InChIKey of 2-butyl-5-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]-1H-imidazole?
The InChIKey is CDXLHNKOWAMLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c1-2-3-4-10-17-7-9(18-10)11-16-5-6-19(11)8-12(13,14)15/h5-7H,2-4,8H2,1H3,(H,17,18).
What are the key properties of 2-butyl-5-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]-1H-imidazole?
2-butyl-5-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]-1H-imidazole has a molecular weight of 272.27 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]-1H-imidazole is sourced from PubChem (CID 56864220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).