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

C15H20F2N4 — CID 83209531

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCNC1CCCc2cn(Cc3nccn3C(F)F)cc21
InChIInChI=1S/C15H20F2N4/c1-2-18-13-5-3-4-11-8-20(9-12(11)13)10-14-19-6-7-21(14)15(16)17/h6-9,13,15,18H,2-5,10H2,1H3
InChIKeyVJOGTFUZRBHVCS-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.11
Rot. Bonds5

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

2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83209531) has the molecular formula C15H20F2N4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83209531
Molecular FormulaC15H20F2N4
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCNC1CCCc2cn(Cc3nccn3C(F)F)cc21
InChIInChI=1S/C15H20F2N4/c1-2-18-13-5-3-4-11-8-20(9-12(11)13)10-14-19-6-7-21(14)15(16)17/h6-9,13,15,18H,2-5,10H2,1H3
InChIKeyVJOGTFUZRBHVCS-UHFFFAOYSA-N
XLogP3.11
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.11
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]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine (CID 83209531) is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine is CCNC1CCCc2cn(Cc3nccn3C(F)F)cc21.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is VJOGTFUZRBHVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4/c1-2-18-13-5-3-4-11-8-20(9-12(11)13)10-14-19-6-7-21(14)15(16)17/h6-9,13,15,18H,2-5,10H2,1H3.
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine?
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 294.35 g/mol, XLogP of 3.11, 5 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]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83209531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).