(1R)-8-bromo-6-fluoro-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole

C12H12BrFN2 — CID 146283181

IUPAC(1R)-8-bromo-6-fluoro-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
SMILESC[C@@H]1CCCc2nc3c(F)cc(Br)cc3n21
InChIInChI=1S/C12H12BrFN2/c1-7-3-2-4-11-15-12-9(14)5-8(13)6-10(12)16(7)11/h5-7H,2-4H2,1H3/t7-/m1/s1
InChIKeyTWTPEAMEAXGIJY-SSDOTTSWSA-N
MW283.14 g/mol
LogP3.84
Rot. Bonds

About (1R)-8-bromo-6-fluoro-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole

(1R)-8-bromo-6-fluoro-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole (PubChem CID 146283181) has the molecular formula C12H12BrFN2 and a molecular weight of 283.14 g/mol. Its IUPAC name is (1R)-8-bromo-6-fluoro-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name(1R)-8-bromo-6-fluoro-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
PubChem CID146283181
Molecular FormulaC12H12BrFN2
Molecular Weight283.14 g/mol
Exact Mass282.02
IUPAC Name(1R)-8-bromo-6-fluoro-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
SMILESC[C@@H]1CCCc2nc3c(F)cc(Br)cc3n21
InChIInChI=1S/C12H12BrFN2/c1-7-3-2-4-11-15-12-9(14)5-8(13)6-10(12)16(7)11/h5-7H,2-4H2,1H3/t7-/m1/s1
InChIKeyTWTPEAMEAXGIJY-SSDOTTSWSA-N
XLogP3.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-8-bromo-6-fluoro-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The IUPAC name of (1R)-8-bromo-6-fluoro-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole (CID 146283181) is (1R)-8-bromo-6-fluoro-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for (1R)-8-bromo-6-fluoro-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for (1R)-8-bromo-6-fluoro-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole is C[C@@H]1CCCc2nc3c(F)cc(Br)cc3n21.
What is the InChIKey of (1R)-8-bromo-6-fluoro-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The InChIKey is TWTPEAMEAXGIJY-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12BrFN2/c1-7-3-2-4-11-15-12-9(14)5-8(13)6-10(12)16(7)11/h5-7H,2-4H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-8-bromo-6-fluoro-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
(1R)-8-bromo-6-fluoro-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole has a molecular weight of 283.14 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-8-bromo-6-fluoro-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 146283181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).