2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane

C10H13F3N4 — CID 171533214

IUPAC2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane
SMILESFC(F)(F)c1nc[nH]c1CN1CC2(CNC2)C1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-7(15-6-16-8)1-17-4-9(5-17)2-14-3-9/h6,14H,1-5H2,(H,15,16)
InChIKeyDPNDMUDPNBXUFK-UHFFFAOYSA-N
MW246.24 g/mol
LogP0.83
Rot. Bonds2

About 2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane

2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 171533214) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane
PubChem CID171533214
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane
SMILESFC(F)(F)c1nc[nH]c1CN1CC2(CNC2)C1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-7(15-6-16-8)1-17-4-9(5-17)2-14-3-9/h6,14H,1-5H2,(H,15,16)
InChIKeyDPNDMUDPNBXUFK-UHFFFAOYSA-N
XLogP0.83
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methylamino]ethyl]thiourea
CID 57137672
1-cyano-2-methyl-3-[2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methylamino]ethyl]guanidine
CID 57180390
[4-(trifluoromethyl)-1H-imidazol-5-yl]methanamine
CID 84652002
2-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane
CID 168205199
2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptane
CID 171533202
1-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperazine
CID 174286758
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 55114498
2,2,2-trifluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
CID 62747610
3,3,3-trifluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-1-amine
CID 63226519
4,4,4-trifluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]butan-2-amine
CID 105932093
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210284
2,2,3,3-tetrafluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-1-amine
CID 106289527

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane (CID 171533214) is 2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane is FC(F)(F)c1nc[nH]c1CN1CC2(CNC2)C1.
What is the InChIKey of 2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is DPNDMUDPNBXUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)8-7(15-6-16-8)1-17-4-9(5-17)2-14-3-9/h6,14H,1-5H2,(H,15,16).
What are the key properties of 2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane?
2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 246.24 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 171533214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).