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

C14H18F2N4 — CID 83213058

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(Cc3nccn3C(F)F)cc21
InChIInChI=1S/C14H18F2N4/c1-17-12-4-2-3-10-7-19(8-11(10)12)9-13-18-5-6-20(13)14(15)16/h5-8,12,14,17H,2-4,9H2,1H3
InChIKeyCDBXPQFAAAPGRC-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.72
Rot. Bonds4

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

2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83213058) has the molecular formula C14H18F2N4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83213058
Molecular FormulaC14H18F2N4
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(Cc3nccn3C(F)F)cc21
InChIInChI=1S/C14H18F2N4/c1-17-12-4-2-3-10-7-19(8-11(10)12)9-13-18-5-6-20(13)14(15)16/h5-8,12,14,17H,2-4,9H2,1H3
InChIKeyCDBXPQFAAAPGRC-UHFFFAOYSA-N
XLogP2.72
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.72
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-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (CID 83213058) is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine is CNC1CCCc2cn(Cc3nccn3C(F)F)cc21.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is CDBXPQFAAAPGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4/c1-17-12-4-2-3-10-7-19(8-11(10)12)9-13-18-5-6-20(13)14(15)16/h5-8,12,14,17H,2-4,9H2,1H3.
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 280.32 g/mol, XLogP of 2.72, 4 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-methyl-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83213058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).