2,2,2-trifluoro-1-(4-methylbenzimidazol-1-yl)ethanone

C10H7F3N2O — CID 134239560

IUPAC2,2,2-trifluoro-1-(4-methylbenzimidazol-1-yl)ethanone
SMILESCc1cccc2c1ncn2C(=O)C(F)(F)F
InChIInChI=1S/C10H7F3N2O/c1-6-3-2-4-7-8(6)14-5-15(7)9(16)10(11,12)13/h2-5H,1H3
InChIKeyDRJJPJUTKHAZNV-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.55
Rot. Bonds

About 2,2,2-trifluoro-1-(4-methylbenzimidazol-1-yl)ethanone

2,2,2-trifluoro-1-(4-methylbenzimidazol-1-yl)ethanone (PubChem CID 134239560) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methylbenzimidazol-1-yl)ethanone
PubChem CID134239560
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name2,2,2-trifluoro-1-(4-methylbenzimidazol-1-yl)ethanone
SMILESCc1cccc2c1ncn2C(=O)C(F)(F)F
InChIInChI=1S/C10H7F3N2O/c1-6-3-2-4-7-8(6)14-5-15(7)9(16)10(11,12)13/h2-5H,1H3
InChIKeyDRJJPJUTKHAZNV-UHFFFAOYSA-N
XLogP2.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methylbenzimidazol-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-methylbenzimidazol-1-yl)ethanone (CID 134239560) is 2,2,2-trifluoro-1-(4-methylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methylbenzimidazol-1-yl)ethanone is Cc1cccc2c1ncn2C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methylbenzimidazol-1-yl)ethanone?
The InChIKey is DRJJPJUTKHAZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-6-3-2-4-7-8(6)14-5-15(7)9(16)10(11,12)13/h2-5H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methylbenzimidazol-1-yl)ethanone?
2,2,2-trifluoro-1-(4-methylbenzimidazol-1-yl)ethanone has a molecular weight of 228.17 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 134239560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).