N-(1-amino-2-methylpropan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

C13H20N4O3S — CID 119975623

IUPACN-(1-amino-2-methylpropan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NC(C)(C)CN)ccc21
InChIInChI=1S/C13H20N4O3S/c1-13(2,8-14)15-21(19,20)9-5-6-10-11(7-9)17(4)12(18)16(10)3/h5-7,15H,8,14H2,1-4H3
InChIKeyRFJOAOSUVIQEJJ-UHFFFAOYSA-N
MW312.40 g/mol
LogP-0.11
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

N-(1-amino-2-methylpropan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 119975623) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID119975623
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NC(C)(C)CN)ccc21
InChIInChI=1S/C13H20N4O3S/c1-13(2,8-14)15-21(19,20)9-5-6-10-11(7-9)17(4)12(18)16(10)3/h5-7,15H,8,14H2,1-4H3
InChIKeyRFJOAOSUVIQEJJ-UHFFFAOYSA-N
XLogP-0.11
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 119985221
1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide
CID 3158003
N-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
CID 63194324
N-butyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 49453627
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886497
N-[(4-fluorophenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886481
5-(4-amino-2-methylbutan-2-yl)-1,3-dimethylbenzimidazol-2-one
CID 82498576
1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide
CID 119960641
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide
CID 119975780
N-(1-amino-2-methylpropan-2-yl)-3,5-dichlorobenzenesulfonamide
CID 63194668
N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide
CID 55161784

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 119975623) is N-(1-amino-2-methylpropan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(C)(C)CN)ccc21.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is RFJOAOSUVIQEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-13(2,8-14)15-21(19,20)9-5-6-10-11(7-9)17(4)12(18)16(10)3/h5-7,15H,8,14H2,1-4H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
N-(1-amino-2-methylpropan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 119975623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).