1'-acetyl-5-(trifluoromethyl)spiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one

C17H12F3N3O2 — CID 13467650

IUPAC1'-acetyl-5-(trifluoromethyl)spiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one
SMILESCC(=O)N1C(=O)C2(Nc3ccc(C(F)(F)F)cc3N2)c2ccccc21
InChIInChI=1S/C17H12F3N3O2/c1-9(24)23-14-5-3-2-4-11(14)16(15(23)25)21-12-7-6-10(17(18,19)20)8-13(12)22-16/h2-8,21-22H,1H3
InChIKeyZYVKZNWPFWLLLX-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.29
Rot. Bonds

About 1'-acetyl-5-(trifluoromethyl)spiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one

1'-acetyl-5-(trifluoromethyl)spiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one (PubChem CID 13467650) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 1'-acetyl-5-(trifluoromethyl)spiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-acetyl-5-(trifluoromethyl)spiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one
PubChem CID13467650
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name1'-acetyl-5-(trifluoromethyl)spiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one
SMILESCC(=O)N1C(=O)C2(Nc3ccc(C(F)(F)F)cc3N2)c2ccccc21
InChIInChI=1S/C17H12F3N3O2/c1-9(24)23-14-5-3-2-4-11(14)16(15(23)25)21-12-7-6-10(17(18,19)20)8-13(12)22-16/h2-8,21-22H,1H3
InChIKeyZYVKZNWPFWLLLX-UHFFFAOYSA-N
XLogP3.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3a-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one
CID 368710
3-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 4804767
5-fluoro-1-[(4-fluorophenyl)methyl]spiro[2H-indole-3,5'-imidazolidine]-2',4'-dione
CID 44273340
1'-propionyl-1,3-dihydrospiro[benzimidazole-2,3'-indol]-2'(1'H)-one
CID 2972258
Spiro(2H-benzimidazole-2,3'-(3H)indol)-2'(1'H)-one, 1,3-dihydro-1'-acetyl-5'-fluoro-
CID 1506977
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16332094
Spiro[2h-benzimidazole-2,3'-[3h]indol]-2'(1'h)-one, 1'-acetyl-1,3-dihydro-
CID 270247
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16561258
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 24982608
1'-Acetyl-4-methylspiro[imidazolidine-2,3'-indol]-2'(1'h)-one
CID 276388
Spiro(2H-benzimidazole-2,3'-(3H)indol)-2'(1'H)-one, 1,3-dihydro-1'-acetyl-5-fluoro-
CID 13467648
Spiro(2H-benzimidazole-2,3'-(3H)indol)-2'(1'H)-one, 1,3-dihydro-1'-acetyl-5,6'-difluoro-
CID 13467649

Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-5-(trifluoromethyl)spiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one?
The IUPAC name of 1'-acetyl-5-(trifluoromethyl)spiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one (CID 13467650) is 1'-acetyl-5-(trifluoromethyl)spiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-acetyl-5-(trifluoromethyl)spiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one?
The canonical SMILES for 1'-acetyl-5-(trifluoromethyl)spiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one is CC(=O)N1C(=O)C2(Nc3ccc(C(F)(F)F)cc3N2)c2ccccc21.
What is the InChIKey of 1'-acetyl-5-(trifluoromethyl)spiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one?
The InChIKey is ZYVKZNWPFWLLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c1-9(24)23-14-5-3-2-4-11(14)16(15(23)25)21-12-7-6-10(17(18,19)20)8-13(12)22-16/h2-8,21-22H,1H3.
What are the key properties of 1'-acetyl-5-(trifluoromethyl)spiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one?
1'-acetyl-5-(trifluoromethyl)spiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one has a molecular weight of 347.30 g/mol, XLogP of 3.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-5-(trifluoromethyl)spiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one is sourced from PubChem (CID 13467650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).