3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol

C10H7BrF4N2O — CID 79872462

IUPAC3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(Cc1nc2cc(Br)c(F)cc2[nH]1)C(F)(F)F
InChIInChI=1S/C10H7BrF4N2O/c11-4-1-6-7(2-5(4)12)17-9(16-6)3-8(18)10(13,14)15/h1-2,8,18H,3H2,(H,16,17)
InChIKeyZUQILNGZVDQECV-UHFFFAOYSA-N
MW327.08 g/mol
LogP2.93
Rot. Bonds2

About 3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol

3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 79872462) has the molecular formula C10H7BrF4N2O and a molecular weight of 327.08 g/mol. Its IUPAC name is 3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID79872462
Molecular FormulaC10H7BrF4N2O
Molecular Weight327.08 g/mol
Exact Mass325.97
IUPAC Name3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(Cc1nc2cc(Br)c(F)cc2[nH]1)C(F)(F)F
InChIInChI=1S/C10H7BrF4N2O/c11-4-1-6-7(2-5(4)12)17-9(16-6)3-8(18)10(13,14)15/h1-2,8,18H,3H2,(H,16,17)
InChIKeyZUQILNGZVDQECV-UHFFFAOYSA-N
XLogP2.93
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.08
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol (CID 79872462) is 3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol is OC(Cc1nc2cc(Br)c(F)cc2[nH]1)C(F)(F)F.
What is the InChIKey of 3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is ZUQILNGZVDQECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF4N2O/c11-4-1-6-7(2-5(4)12)17-9(16-6)3-8(18)10(13,14)15/h1-2,8,18H,3H2,(H,16,17).
What are the key properties of 3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol?
3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 327.08 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 79872462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).