N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide

C17H14F3N3O2 — CID 86997603

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)10-25-9-15(24)21-12-6-2-1-5-11(12)16-22-13-7-3-4-8-14(13)23-16/h1-8H,9-10H2,(H,21,24)(H,22,23)
InChIKeyGFTQAKCDPDOPIH-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.75
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86997603) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86997603
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)10-25-9-15(24)21-12-6-2-1-5-11(12)16-22-13-7-3-4-8-14(13)23-16/h1-8H,9-10H2,(H,21,24)(H,22,23)
InChIKeyGFTQAKCDPDOPIH-UHFFFAOYSA-N
XLogP3.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86991053
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide
CID 78843524
2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride
CID 103213870
3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide
CID 7150618
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 86917491
N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide
CID 112809550
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 2448627
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 94717593
N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175048664
2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide
CID 59483498
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 78804367

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 86997603) is N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)Nc1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is GFTQAKCDPDOPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c18-17(19,20)10-25-9-15(24)21-12-6-2-1-5-11(12)16-22-13-7-3-4-8-14(13)23-16/h1-8H,9-10H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 349.31 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86997603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).