1'-acetyl-5,6'-difluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one

C16H11F2N3O2 — CID 13467649

IUPAC1'-acetyl-5,6'-difluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one
SMILESCC(=O)N1C(=O)C2(Nc3ccc(F)cc3N2)c2ccc(F)cc21
InChIInChI=1S/C16H11F2N3O2/c1-8(22)21-14-7-10(18)2-4-11(14)16(15(21)23)19-12-5-3-9(17)6-13(12)20-16/h2-7,19-20H,1H3
InChIKeyQAUSRRWEOZDWAJ-UHFFFAOYSA-N
MW315.28 g/mol
LogP2.55
Rot. Bonds

About 1'-acetyl-5,6'-difluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one

1'-acetyl-5,6'-difluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one (PubChem CID 13467649) has the molecular formula C16H11F2N3O2 and a molecular weight of 315.28 g/mol. Its IUPAC name is 1'-acetyl-5,6'-difluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-acetyl-5,6'-difluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one
PubChem CID13467649
Molecular FormulaC16H11F2N3O2
Molecular Weight315.28 g/mol
Exact Mass315.08
IUPAC Name1'-acetyl-5,6'-difluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one
SMILESCC(=O)N1C(=O)C2(Nc3ccc(F)cc3N2)c2ccc(F)cc21
InChIInChI=1S/C16H11F2N3O2/c1-8(22)21-14-7-10(18)2-4-11(14)16(15(21)23)19-12-5-3-9(17)6-13(12)20-16/h2-7,19-20H,1H3
InChIKeyQAUSRRWEOZDWAJ-UHFFFAOYSA-N
XLogP2.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 3606093
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
N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide
CID 20946734
5-fluoro-1-[(4-fluorophenyl)methyl]spiro[2H-indole-3,5'-imidazolidine]-2',4'-dione
CID 44273340
3-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2455095
3-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 3963316
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
Spiro[2h-benzimidazole-2,3'-[3h]indol]-2'(1'h)-one, 1'-acetyl-1,3-dihydro-
CID 270247
1',3'-Dimethyl-7',9'-dihydrospiro[indole-3,8'-purine]-2,2',6'(1h,1'h,3'h)-trione
CID 272594
3-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4195139

Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-5,6'-difluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one?
The IUPAC name of 1'-acetyl-5,6'-difluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one (CID 13467649) is 1'-acetyl-5,6'-difluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-acetyl-5,6'-difluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one?
The canonical SMILES for 1'-acetyl-5,6'-difluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one is CC(=O)N1C(=O)C2(Nc3ccc(F)cc3N2)c2ccc(F)cc21.
What is the InChIKey of 1'-acetyl-5,6'-difluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one?
The InChIKey is QAUSRRWEOZDWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2/c1-8(22)21-14-7-10(18)2-4-11(14)16(15(21)23)19-12-5-3-9(17)6-13(12)20-16/h2-7,19-20H,1H3.
What are the key properties of 1'-acetyl-5,6'-difluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one?
1'-acetyl-5,6'-difluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one has a molecular weight of 315.28 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-5,6'-difluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one is sourced from PubChem (CID 13467649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).