1-[2-ethyl-1-(4-ethylphenyl)benzimidazol-5-yl]-2,2,2-trifluoroethanone

C19H17F3N2O — CID 173117261

IUPAC1-[2-ethyl-1-(4-ethylphenyl)benzimidazol-5-yl]-2,2,2-trifluoroethanone
SMILESCCc1ccc(-n2c(CC)nc3cc(C(=O)C(F)(F)F)ccc32)cc1
InChIInChI=1S/C19H17F3N2O/c1-3-12-5-8-14(9-6-12)24-16-10-7-13(18(25)19(20,21)22)11-15(16)23-17(24)4-2/h5-11H,3-4H2,1-2H3
InChIKeyROKDSDCGLDQHHI-UHFFFAOYSA-N
MW346.35 g/mol
LogP4.90
Rot. Bonds4

About 1-[2-ethyl-1-(4-ethylphenyl)benzimidazol-5-yl]-2,2,2-trifluoroethanone

1-[2-ethyl-1-(4-ethylphenyl)benzimidazol-5-yl]-2,2,2-trifluoroethanone (PubChem CID 173117261) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-[2-ethyl-1-(4-ethylphenyl)benzimidazol-5-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-ethyl-1-(4-ethylphenyl)benzimidazol-5-yl]-2,2,2-trifluoroethanone
PubChem CID173117261
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name1-[2-ethyl-1-(4-ethylphenyl)benzimidazol-5-yl]-2,2,2-trifluoroethanone
SMILESCCc1ccc(-n2c(CC)nc3cc(C(=O)C(F)(F)F)ccc32)cc1
InChIInChI=1S/C19H17F3N2O/c1-3-12-5-8-14(9-6-12)24-16-10-7-13(18(25)19(20,21)22)11-15(16)23-17(24)4-2/h5-11H,3-4H2,1-2H3
InChIKeyROKDSDCGLDQHHI-UHFFFAOYSA-N
XLogP4.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-1-(4-ethylphenyl)benzimidazol-5-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-ethyl-1-(4-ethylphenyl)benzimidazol-5-yl]-2,2,2-trifluoroethanone (CID 173117261) is 1-[2-ethyl-1-(4-ethylphenyl)benzimidazol-5-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-ethyl-1-(4-ethylphenyl)benzimidazol-5-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-ethyl-1-(4-ethylphenyl)benzimidazol-5-yl]-2,2,2-trifluoroethanone is CCc1ccc(-n2c(CC)nc3cc(C(=O)C(F)(F)F)ccc32)cc1.
What is the InChIKey of 1-[2-ethyl-1-(4-ethylphenyl)benzimidazol-5-yl]-2,2,2-trifluoroethanone?
The InChIKey is ROKDSDCGLDQHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-3-12-5-8-14(9-6-12)24-16-10-7-13(18(25)19(20,21)22)11-15(16)23-17(24)4-2/h5-11H,3-4H2,1-2H3.
What are the key properties of 1-[2-ethyl-1-(4-ethylphenyl)benzimidazol-5-yl]-2,2,2-trifluoroethanone?
1-[2-ethyl-1-(4-ethylphenyl)benzimidazol-5-yl]-2,2,2-trifluoroethanone has a molecular weight of 346.35 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-1-(4-ethylphenyl)benzimidazol-5-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 173117261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).