N-[1-(5-aminobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide

C12H18N4O2S — CID 63859552

IUPACN-[1-(5-aminobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(Cn1cnc2cc(N)ccc21)NS(C)(=O)=O
InChIInChI=1S/C12H18N4O2S/c1-12(2,15-19(3,17)18)7-16-8-14-10-6-9(13)4-5-11(10)16/h4-6,8,15H,7,13H2,1-3H3
InChIKeyIUIJAVQWNIEFSX-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.95
Rot. Bonds4

About N-[1-(5-aminobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide

N-[1-(5-aminobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63859552) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[1-(5-aminobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-aminobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63859552
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-[1-(5-aminobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(Cn1cnc2cc(N)ccc21)NS(C)(=O)=O
InChIInChI=1S/C12H18N4O2S/c1-12(2,15-19(3,17)18)7-16-8-14-10-6-9(13)4-5-11(10)16/h4-6,8,15H,7,13H2,1-3H3
InChIKeyIUIJAVQWNIEFSX-UHFFFAOYSA-N
XLogP0.95
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-aminobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(5-aminobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide (CID 63859552) is N-[1-(5-aminobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(5-aminobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(5-aminobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide is CC(C)(Cn1cnc2cc(N)ccc21)NS(C)(=O)=O.
What is the InChIKey of N-[1-(5-aminobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is IUIJAVQWNIEFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-12(2,15-19(3,17)18)7-16-8-14-10-6-9(13)4-5-11(10)16/h4-6,8,15H,7,13H2,1-3H3.
What are the key properties of N-[1-(5-aminobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide?
N-[1-(5-aminobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-aminobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63859552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).