2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide

C12H12F3N3O2 — CID 18947290

IUPAC2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide
SMILESCOc1ccc2ncn(CCNC(=O)C(F)(F)F)c2c1
InChIInChI=1S/C12H12F3N3O2/c1-20-8-2-3-9-10(6-8)18(7-17-9)5-4-16-11(19)12(13,14)15/h2-3,6-7H,4-5H2,1H3,(H,16,19)
InChIKeyJACQPEBWSDDFSO-UHFFFAOYSA-N
MW287.24 g/mol
LogP1.72
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide (PubChem CID 18947290) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide
PubChem CID18947290
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide
SMILESCOc1ccc2ncn(CCNC(=O)C(F)(F)F)c2c1
InChIInChI=1S/C12H12F3N3O2/c1-20-8-2-3-9-10(6-8)18(7-17-9)5-4-16-11(19)12(13,14)15/h2-3,6-7H,4-5H2,1H3,(H,16,19)
InChIKeyJACQPEBWSDDFSO-UHFFFAOYSA-N
XLogP1.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide (CID 18947290) is 2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide is COc1ccc2ncn(CCNC(=O)C(F)(F)F)c2c1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide?
The InChIKey is JACQPEBWSDDFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-20-8-2-3-9-10(6-8)18(7-17-9)5-4-16-11(19)12(13,14)15/h2-3,6-7H,4-5H2,1H3,(H,16,19).
What are the key properties of 2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide has a molecular weight of 287.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 18947290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).