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

C25H26N6O4S — CID 53000271

IUPACN-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cc4c(cc3NCc3ccccc3)n(C)c(=O)n4C)ccc21
InChIInChI=1S/C25H26N6O4S/c1-28-20-11-10-17(12-21(20)29(2)24(28)32)36(34,35)27-19-14-23-22(30(3)25(33)31(23)4)13-18(19)26-15-16-8-6-5-7-9-16/h5-14,26-27H,15H2,1-4H3
InChIKeyMVYQVRDYHIDPMR-UHFFFAOYSA-N
MW506.59 g/mol
LogP2.48
Rot. Bonds6

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

N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 53000271) has the molecular formula C25H26N6O4S and a molecular weight of 506.59 g/mol. Its IUPAC name is N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID53000271
Molecular FormulaC25H26N6O4S
Molecular Weight506.59 g/mol
Exact Mass506.17
IUPAC NameN-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cc4c(cc3NCc3ccccc3)n(C)c(=O)n4C)ccc21
InChIInChI=1S/C25H26N6O4S/c1-28-20-11-10-17(12-21(20)29(2)24(28)32)36(34,35)27-19-14-23-22(30(3)25(33)31(23)4)13-18(19)26-15-16-8-6-5-7-9-16/h5-14,26-27H,15H2,1-4H3
InChIKeyMVYQVRDYHIDPMR-UHFFFAOYSA-N
XLogP2.48
TPSA112.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.59
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 53000271) is N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cc4c(cc3NCc3ccccc3)n(C)c(=O)n4C)ccc21.
What is the InChIKey of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is MVYQVRDYHIDPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4S/c1-28-20-11-10-17(12-21(20)29(2)24(28)32)36(34,35)27-19-14-23-22(30(3)25(33)31(23)4)13-18(19)26-15-16-8-6-5-7-9-16/h5-14,26-27H,15H2,1-4H3.
What are the key properties of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 506.59 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 53000271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).