7-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine

C11H11ClF3N3O — CID 55260500

IUPAC7-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1CCOCC(F)(F)F
InChIInChI=1S/C11H11ClF3N3O/c12-7-2-1-3-8-9(7)18(10(16)17-8)4-5-19-6-11(13,14)15/h1-3H,4-6H2,(H2,16,17)
InChIKeyKHLQGKTULDBWPX-UHFFFAOYSA-N
MW293.68 g/mol
LogP2.85
Rot. Bonds4

About 7-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine

7-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine (PubChem CID 55260500) has the molecular formula C11H11ClF3N3O and a molecular weight of 293.68 g/mol. Its IUPAC name is 7-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine
PubChem CID55260500
Molecular FormulaC11H11ClF3N3O
Molecular Weight293.68 g/mol
Exact Mass293.05
IUPAC Name7-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1CCOCC(F)(F)F
InChIInChI=1S/C11H11ClF3N3O/c12-7-2-1-3-8-9(7)18(10(16)17-8)4-5-19-6-11(13,14)15/h1-3H,4-6H2,(H2,16,17)
InChIKeyKHLQGKTULDBWPX-UHFFFAOYSA-N
XLogP2.85
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine (CID 55260500) is 7-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine is Nc1nc2cccc(Cl)c2n1CCOCC(F)(F)F.
What is the InChIKey of 7-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine?
The InChIKey is KHLQGKTULDBWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O/c12-7-2-1-3-8-9(7)18(10(16)17-8)4-5-19-6-11(13,14)15/h1-3H,4-6H2,(H2,16,17).
What are the key properties of 7-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine?
7-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine has a molecular weight of 293.68 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 55260500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).