N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]propane-1-sulfonamide

C19H24N4O3S — CID 15990260

IUPACN-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc2c(cc1NCc1ccccc1)n(C)c(=O)n2C
InChIInChI=1S/C19H24N4O3S/c1-4-10-27(25,26)21-16-12-18-17(22(2)19(24)23(18)3)11-15(16)20-13-14-8-6-5-7-9-14/h5-9,11-12,20-21H,4,10,13H2,1-3H3
InChIKeyHRZLIXOTANJXQN-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.64
Rot. Bonds7

About N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]propane-1-sulfonamide

N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]propane-1-sulfonamide (PubChem CID 15990260) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]propane-1-sulfonamide
PubChem CID15990260
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc2c(cc1NCc1ccccc1)n(C)c(=O)n2C
InChIInChI=1S/C19H24N4O3S/c1-4-10-27(25,26)21-16-12-18-17(22(2)19(24)23(18)3)11-15(16)20-13-14-8-6-5-7-9-14/h5-9,11-12,20-21H,4,10,13H2,1-3H3
InChIKeyHRZLIXOTANJXQN-UHFFFAOYSA-N
XLogP2.64
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]propane-1-sulfonamide?
The IUPAC name of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]propane-1-sulfonamide (CID 15990260) is N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]propane-1-sulfonamide?
The canonical SMILES for N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc2c(cc1NCc1ccccc1)n(C)c(=O)n2C.
What is the InChIKey of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]propane-1-sulfonamide?
The InChIKey is HRZLIXOTANJXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-4-10-27(25,26)21-16-12-18-17(22(2)19(24)23(18)3)11-15(16)20-13-14-8-6-5-7-9-14/h5-9,11-12,20-21H,4,10,13H2,1-3H3.
What are the key properties of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]propane-1-sulfonamide?
N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]propane-1-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]propane-1-sulfonamide is sourced from PubChem (CID 15990260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).