3-(5,6-dichloro-1H-benzimidazol-2-yl)-1,1,1-trifluoro-2-methylpropan-2-ol

C11H9Cl2F3N2O — CID 59682305

IUPAC3-(5,6-dichloro-1H-benzimidazol-2-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(O)(Cc1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F
InChIInChI=1S/C11H9Cl2F3N2O/c1-10(19,11(14,15)16)4-9-17-7-2-5(12)6(13)3-8(7)18-9/h2-3,19H,4H2,1H3,(H,17,18)
InChIKeyFWZYNXFTAUEQQT-UHFFFAOYSA-N
MW313.11 g/mol
LogP3.73
Rot. Bonds2

About 3-(5,6-dichloro-1H-benzimidazol-2-yl)-1,1,1-trifluoro-2-methylpropan-2-ol

3-(5,6-dichloro-1H-benzimidazol-2-yl)-1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 59682305) has the molecular formula C11H9Cl2F3N2O and a molecular weight of 313.11 g/mol. Its IUPAC name is 3-(5,6-dichloro-1H-benzimidazol-2-yl)-1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-(5,6-dichloro-1H-benzimidazol-2-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID59682305
Molecular FormulaC11H9Cl2F3N2O
Molecular Weight313.11 g/mol
Exact Mass312.00
IUPAC Name3-(5,6-dichloro-1H-benzimidazol-2-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(O)(Cc1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F
InChIInChI=1S/C11H9Cl2F3N2O/c1-10(19,11(14,15)16)4-9-17-7-2-5(12)6(13)3-8(7)18-9/h2-3,19H,4H2,1H3,(H,17,18)
InChIKeyFWZYNXFTAUEQQT-UHFFFAOYSA-N
XLogP3.73
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.11
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dichloro-1H-benzimidazol-2-yl)-1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of 3-(5,6-dichloro-1H-benzimidazol-2-yl)-1,1,1-trifluoro-2-methylpropan-2-ol (CID 59682305) is 3-(5,6-dichloro-1H-benzimidazol-2-yl)-1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for 3-(5,6-dichloro-1H-benzimidazol-2-yl)-1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for 3-(5,6-dichloro-1H-benzimidazol-2-yl)-1,1,1-trifluoro-2-methylpropan-2-ol is CC(O)(Cc1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F.
What is the InChIKey of 3-(5,6-dichloro-1H-benzimidazol-2-yl)-1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is FWZYNXFTAUEQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F3N2O/c1-10(19,11(14,15)16)4-9-17-7-2-5(12)6(13)3-8(7)18-9/h2-3,19H,4H2,1H3,(H,17,18).
What are the key properties of 3-(5,6-dichloro-1H-benzimidazol-2-yl)-1,1,1-trifluoro-2-methylpropan-2-ol?
3-(5,6-dichloro-1H-benzimidazol-2-yl)-1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 313.11 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dichloro-1H-benzimidazol-2-yl)-1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 59682305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).