2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5,6,7-tetrahydroisoindol-4-amine

C13H16F2N4 — CID 83212515

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESNC1CCCc2cn(Cc3nccn3C(F)F)cc21
InChIInChI=1S/C13H16F2N4/c14-13(15)19-5-4-17-12(19)8-18-6-9-2-1-3-11(16)10(9)7-18/h4-7,11,13H,1-3,8,16H2
InChIKeyFXVSNSHBMHBWIO-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.46
Rot. Bonds3

About 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5,6,7-tetrahydroisoindol-4-amine

2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83212515) has the molecular formula C13H16F2N4 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83212515
Molecular FormulaC13H16F2N4
Molecular Weight266.29 g/mol
Exact Mass266.13
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESNC1CCCc2cn(Cc3nccn3C(F)F)cc21
InChIInChI=1S/C13H16F2N4/c14-13(15)19-5-4-17-12(19)8-18-6-9-2-1-3-11(16)10(9)7-18/h4-7,11,13H,1-3,8,16H2
InChIKeyFXVSNSHBMHBWIO-UHFFFAOYSA-N
XLogP2.46
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5,6,7-tetrahydroisoindol-4-amine (CID 83212515) is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5,6,7-tetrahydroisoindol-4-amine is NC1CCCc2cn(Cc3nccn3C(F)F)cc21.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is FXVSNSHBMHBWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4/c14-13(15)19-5-4-17-12(19)8-18-6-9-2-1-3-11(16)10(9)7-18/h4-7,11,13H,1-3,8,16H2.
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 266.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83212515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).