(1S)-1-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)ethanol

C13H16BrFN2O — CID 146219945

IUPAC(1S)-1-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)ethanol
SMILESC[C@H](O)c1nc2c(F)cc(Br)cc2n1C(C)(C)C
InChIInChI=1S/C13H16BrFN2O/c1-7(18)12-16-11-9(15)5-8(14)6-10(11)17(12)13(2,3)4/h5-7,18H,1-4H3/t7-/m0/s1
InChIKeyCUSFIDBOGGVJGW-ZETCQYMHSA-N
MW315.19 g/mol
LogP3.75
Rot. Bonds1

About (1S)-1-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)ethanol

(1S)-1-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)ethanol (PubChem CID 146219945) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is (1S)-1-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)ethanol
PubChem CID146219945
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name(1S)-1-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)ethanol
SMILESC[C@H](O)c1nc2c(F)cc(Br)cc2n1C(C)(C)C
InChIInChI=1S/C13H16BrFN2O/c1-7(18)12-16-11-9(15)5-8(14)6-10(11)17(12)13(2,3)4/h5-7,18H,1-4H3/t7-/m0/s1
InChIKeyCUSFIDBOGGVJGW-ZETCQYMHSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)ethanol?
The IUPAC name of (1S)-1-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)ethanol (CID 146219945) is (1S)-1-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)ethanol?
The canonical SMILES for (1S)-1-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)ethanol is C[C@H](O)c1nc2c(F)cc(Br)cc2n1C(C)(C)C.
What is the InChIKey of (1S)-1-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)ethanol?
The InChIKey is CUSFIDBOGGVJGW-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c1-7(18)12-16-11-9(15)5-8(14)6-10(11)17(12)13(2,3)4/h5-7,18H,1-4H3/t7-/m0/s1.
What are the key properties of (1S)-1-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)ethanol?
(1S)-1-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)ethanol has a molecular weight of 315.19 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)ethanol is sourced from PubChem (CID 146219945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).