2-(5,7-difluoro-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylethanamine

C12H12F2N4 — CID 84633689

IUPAC2-(5,7-difluoro-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylethanamine
SMILESCNCCc1cn2c(nc3c(F)cc(F)cc32)[nH]1
InChIInChI=1S/C12H12F2N4/c1-15-3-2-8-6-18-10-5-7(13)4-9(14)11(10)17-12(18)16-8/h4-6,15H,2-3H2,1H3,(H,16,17)
InChIKeyZBQXSGUPNVIGNO-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.86
Rot. Bonds3

About 2-(5,7-difluoro-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylethanamine

2-(5,7-difluoro-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylethanamine (PubChem CID 84633689) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-(5,7-difluoro-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5,7-difluoro-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylethanamine
PubChem CID84633689
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-(5,7-difluoro-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylethanamine
SMILESCNCCc1cn2c(nc3c(F)cc(F)cc32)[nH]1
InChIInChI=1S/C12H12F2N4/c1-15-3-2-8-6-18-10-5-7(13)4-9(14)11(10)17-12(18)16-8/h4-6,15H,2-3H2,1H3,(H,16,17)
InChIKeyZBQXSGUPNVIGNO-UHFFFAOYSA-N
XLogP1.86
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-difluoro-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylethanamine?
The IUPAC name of 2-(5,7-difluoro-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylethanamine (CID 84633689) is 2-(5,7-difluoro-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5,7-difluoro-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(5,7-difluoro-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylethanamine is CNCCc1cn2c(nc3c(F)cc(F)cc32)[nH]1.
What is the InChIKey of 2-(5,7-difluoro-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylethanamine?
The InChIKey is ZBQXSGUPNVIGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c1-15-3-2-8-6-18-10-5-7(13)4-9(14)11(10)17-12(18)16-8/h4-6,15H,2-3H2,1H3,(H,16,17).
What are the key properties of 2-(5,7-difluoro-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylethanamine?
2-(5,7-difluoro-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylethanamine has a molecular weight of 250.25 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-difluoro-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 84633689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).