N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propan-2-ylbenzenesulfonamide

C25H28N4O3S — CID 15990426

IUPACN-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cc3c(cc2NCc2ccccc2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C25H28N4O3S/c1-17(2)19-10-12-20(13-11-19)33(31,32)27-22-15-24-23(28(3)25(30)29(24)4)14-21(22)26-16-18-8-6-5-7-9-18/h5-15,17,26-27H,16H2,1-4H3
InChIKeyLYHKRJWYJOYSQO-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.41
Rot. Bonds7

About N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propan-2-ylbenzenesulfonamide

N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 15990426) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propan-2-ylbenzenesulfonamide
PubChem CID15990426
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC NameN-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cc3c(cc2NCc2ccccc2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C25H28N4O3S/c1-17(2)19-10-12-20(13-11-19)33(31,32)27-22-15-24-23(28(3)25(30)29(24)4)14-21(22)26-16-18-8-6-5-7-9-18/h5-15,17,26-27H,16H2,1-4H3
InChIKeyLYHKRJWYJOYSQO-UHFFFAOYSA-N
XLogP4.41
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.41
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]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propan-2-ylbenzenesulfonamide (CID 15990426) is N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2cc3c(cc2NCc2ccccc2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is LYHKRJWYJOYSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-17(2)19-10-12-20(13-11-19)33(31,32)27-22-15-24-23(28(3)25(30)29(24)4)14-21(22)26-16-18-8-6-5-7-9-18/h5-15,17,26-27H,16H2,1-4H3.
What are the key properties of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propan-2-ylbenzenesulfonamide?
N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 464.59 g/mol, XLogP of 4.41, 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]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 15990426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).