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

C16H12FN3O2 — CID 13467648

IUPAC1'-acetyl-5-fluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one
SMILESCC(=O)N1C(=O)C2(Nc3ccc(F)cc3N2)c2ccccc21
InChIInChI=1S/C16H12FN3O2/c1-9(21)20-14-5-3-2-4-11(14)16(15(20)22)18-12-7-6-10(17)8-13(12)19-16/h2-8,18-19H,1H3
InChIKeyUBKPKLAEPPOXKH-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.41
Rot. Bonds

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

1'-acetyl-5-fluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one (PubChem CID 13467648) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 1'-acetyl-5-fluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-acetyl-5-fluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one
PubChem CID13467648
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name1'-acetyl-5-fluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one
SMILESCC(=O)N1C(=O)C2(Nc3ccc(F)cc3N2)c2ccccc21
InChIInChI=1S/C16H12FN3O2/c1-9(21)20-14-5-3-2-4-11(14)16(15(20)22)18-12-7-6-10(17)8-13(12)19-16/h2-8,18-19H,1H3
InChIKeyUBKPKLAEPPOXKH-UHFFFAOYSA-N
XLogP2.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-5-fluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one?
The IUPAC name of 1'-acetyl-5-fluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one (CID 13467648) is 1'-acetyl-5-fluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-acetyl-5-fluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one?
The canonical SMILES for 1'-acetyl-5-fluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one is CC(=O)N1C(=O)C2(Nc3ccc(F)cc3N2)c2ccccc21.
What is the InChIKey of 1'-acetyl-5-fluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one?
The InChIKey is UBKPKLAEPPOXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-9(21)20-14-5-3-2-4-11(14)16(15(20)22)18-12-7-6-10(17)8-13(12)19-16/h2-8,18-19H,1H3.
What are the key properties of 1'-acetyl-5-fluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one?
1'-acetyl-5-fluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one has a molecular weight of 297.29 g/mol, XLogP of 2.41, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-5-fluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one is sourced from PubChem (CID 13467648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).