[2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-propan-2-yloxybenzimidazol-1-yl] thiohypofluorite

C16H17FN4O2S — CID 153402733

IUPAC[2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-propan-2-yloxybenzimidazol-1-yl] thiohypofluorite
SMILESCC(C)Oc1cccc2c1nc(Cn1cccc(N)c1=O)n2SF
InChIInChI=1S/C16H17FN4O2S/c1-10(2)23-13-7-3-6-12-15(13)19-14(21(12)24-17)9-20-8-4-5-11(18)16(20)22/h3-8,10H,9,18H2,1-2H3
InChIKeyAMEFFWKCMAYPBQ-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.00
Rot. Bonds5

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

[2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-propan-2-yloxybenzimidazol-1-yl] thiohypofluorite (PubChem CID 153402733) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is [2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-propan-2-yloxybenzimidazol-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-propan-2-yloxybenzimidazol-1-yl] thiohypofluorite
PubChem CID153402733
Molecular FormulaC16H17FN4O2S
Molecular Weight348.40 g/mol
Exact Mass348.11
IUPAC Name[2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-propan-2-yloxybenzimidazol-1-yl] thiohypofluorite
SMILESCC(C)Oc1cccc2c1nc(Cn1cccc(N)c1=O)n2SF
InChIInChI=1S/C16H17FN4O2S/c1-10(2)23-13-7-3-6-12-15(13)19-14(21(12)24-17)9-20-8-4-5-11(18)16(20)22/h3-8,10H,9,18H2,1-2H3
InChIKeyAMEFFWKCMAYPBQ-UHFFFAOYSA-N
XLogP3.00
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-propan-2-yloxybenzimidazol-1-yl] thiohypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropoxy)benzimidazol-1-yl] thiohypofluorite
CID 153402828
3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one
CID 146348514
3-amino-1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]pyridin-2-one
CID 146363504
1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine
CID 113393510
3-amino-1-[[4-(1,1-difluoro-2-methylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one
CID 153402862
3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one
CID 165473375
1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine
CID 104829021
3-amino-1-[(2,6-difluorophenyl)methyl]pyridin-2-one
CID 114930175
3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one
CID 55035658
3-amino-1-[[6-fluoro-4-(2,2,2-trifluoroethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one
CID 158449354
3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one
CID 157467509
2-(chloromethyl)-1-cyclobutyl-4-propan-2-yloxybenzimidazole
CID 113393530

Frequently Asked Questions

What is the IUPAC name of [2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-propan-2-yloxybenzimidazol-1-yl] thiohypofluorite?
The IUPAC name of [2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-propan-2-yloxybenzimidazol-1-yl] thiohypofluorite (CID 153402733) is [2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-propan-2-yloxybenzimidazol-1-yl] thiohypofluorite.
What is the SMILES notation for [2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-propan-2-yloxybenzimidazol-1-yl] thiohypofluorite?
The canonical SMILES for [2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-propan-2-yloxybenzimidazol-1-yl] thiohypofluorite is CC(C)Oc1cccc2c1nc(Cn1cccc(N)c1=O)n2SF.
What is the InChIKey of [2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-propan-2-yloxybenzimidazol-1-yl] thiohypofluorite?
The InChIKey is AMEFFWKCMAYPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c1-10(2)23-13-7-3-6-12-15(13)19-14(21(12)24-17)9-20-8-4-5-11(18)16(20)22/h3-8,10H,9,18H2,1-2H3.
What are the key properties of [2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-propan-2-yloxybenzimidazol-1-yl] thiohypofluorite?
[2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-propan-2-yloxybenzimidazol-1-yl] thiohypofluorite has a molecular weight of 348.40 g/mol, XLogP of 3.00, 5 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-propan-2-yloxybenzimidazol-1-yl] thiohypofluorite is sourced from PubChem (CID 153402733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).