6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole

C16H20BrFN2O2 — CID 146219887

IUPAC6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(COC2CCCCO2)nc2c(F)cc(Br)cc21
InChIInChI=1S/C16H20BrFN2O2/c1-10(2)20-13-8-11(17)7-12(18)16(13)19-14(20)9-22-15-5-3-4-6-21-15/h7-8,10,15H,3-6,9H2,1-2H3
InChIKeyDBSOHZQBVSOZCH-UHFFFAOYSA-N
MW371.25 g/mol
LogP4.56
Rot. Bonds4

About 6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole

6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole (PubChem CID 146219887) has the molecular formula C16H20BrFN2O2 and a molecular weight of 371.25 g/mol. Its IUPAC name is 6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole
PubChem CID146219887
Molecular FormulaC16H20BrFN2O2
Molecular Weight371.25 g/mol
Exact Mass370.07
IUPAC Name6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(COC2CCCCO2)nc2c(F)cc(Br)cc21
InChIInChI=1S/C16H20BrFN2O2/c1-10(2)20-13-8-11(17)7-12(18)16(13)19-14(20)9-22-15-5-3-4-6-21-15/h7-8,10,15H,3-6,9H2,1-2H3
InChIKeyDBSOHZQBVSOZCH-UHFFFAOYSA-N
XLogP4.56
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.25
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methoxy-iodophosphane
CID 146232535
6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride
CID 177312133
6-chloro-2-(oxan-2-yloxymethyl)-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine
CID 90177588
6-chloro-2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridine
CID 123687620
1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine
CID 124673951
(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)methoxy-tert-butyl-dimethylsilane
CID 153446322
2-[(4-bromo-2-ethylphenyl)methoxy]oxane
CID 86762394
2-(3,6-difluoro-5-isocyano-2-pyridinyl)-4-ethyl-5-(oxan-2-yloxymethyl)-1,2,4-triazol-3-one
CID 169021414
3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole
CID 162435947
2-[[3-(bromomethyl)-4-fluorophenyl]methoxy]oxane
CID 67128227
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
[6-bromo-1-(3,3-difluorocyclobutyl)-4-fluorobenzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane
CID 153446323

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole?
The IUPAC name of 6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole (CID 146219887) is 6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole?
The canonical SMILES for 6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole is CC(C)n1c(COC2CCCCO2)nc2c(F)cc(Br)cc21.
What is the InChIKey of 6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole?
The InChIKey is DBSOHZQBVSOZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFN2O2/c1-10(2)20-13-8-11(17)7-12(18)16(13)19-14(20)9-22-15-5-3-4-6-21-15/h7-8,10,15H,3-6,9H2,1-2H3.
What are the key properties of 6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole?
6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole has a molecular weight of 371.25 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 146219887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).