[2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropoxy)benzimidazol-1-yl] thiohypofluorite

C17H19FN4O2S — CID 153402828

IUPAC[2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropoxy)benzimidazol-1-yl] thiohypofluorite
SMILESCC(C)COc1cccc2c1nc(Cn1cccc(N)c1=O)n2SF
InChIInChI=1S/C17H19FN4O2S/c1-11(2)10-24-14-7-3-6-13-16(14)20-15(22(13)25-18)9-21-8-4-5-12(19)17(21)23/h3-8,11H,9-10,19H2,1-2H3
InChIKeyOOYOUDQNRQSLFQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.24
Rot. Bonds6

About [2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropoxy)benzimidazol-1-yl] thiohypofluorite

[2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropoxy)benzimidazol-1-yl] thiohypofluorite (PubChem CID 153402828) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropoxy)benzimidazol-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropoxy)benzimidazol-1-yl] thiohypofluorite
PubChem CID153402828
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC Name[2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropoxy)benzimidazol-1-yl] thiohypofluorite
SMILESCC(C)COc1cccc2c1nc(Cn1cccc(N)c1=O)n2SF
InChIInChI=1S/C17H19FN4O2S/c1-11(2)10-24-14-7-3-6-13-16(14)20-15(22(13)25-18)9-21-8-4-5-12(19)17(21)23/h3-8,11H,9-10,19H2,1-2H3
InChIKeyOOYOUDQNRQSLFQ-UHFFFAOYSA-N
XLogP3.24
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropoxy)benzimidazol-1-yl] thiohypofluorite?
The IUPAC name of [2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropoxy)benzimidazol-1-yl] thiohypofluorite (CID 153402828) is [2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropoxy)benzimidazol-1-yl] thiohypofluorite.
What is the SMILES notation for [2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropoxy)benzimidazol-1-yl] thiohypofluorite?
The canonical SMILES for [2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropoxy)benzimidazol-1-yl] thiohypofluorite is CC(C)COc1cccc2c1nc(Cn1cccc(N)c1=O)n2SF.
What is the InChIKey of [2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropoxy)benzimidazol-1-yl] thiohypofluorite?
The InChIKey is OOYOUDQNRQSLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c1-11(2)10-24-14-7-3-6-13-16(14)20-15(22(13)25-18)9-21-8-4-5-12(19)17(21)23/h3-8,11H,9-10,19H2,1-2H3.
What are the key properties of [2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropoxy)benzimidazol-1-yl] thiohypofluorite?
[2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropoxy)benzimidazol-1-yl] thiohypofluorite has a molecular weight of 362.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropoxy)benzimidazol-1-yl] thiohypofluorite is sourced from PubChem (CID 153402828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).