2-[4-[(2,7-dimethylbenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

C27H26N4O3S — CID 20747545

IUPAC2-[4-[(2,7-dimethylbenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(Cn3c(C)nc4cccc(C)c43)cc2)c1C
InChIInChI=1S/C27H26N4O3S/c1-17-8-7-10-24-26(17)31(20(4)28-24)16-21-12-14-22(15-13-21)23-9-5-6-11-25(23)35(32,33)30-27-18(2)19(3)29-34-27/h5-15,30H,16H2,1-4H3
InChIKeyHSBQMWKTNPJJAO-UHFFFAOYSA-N
MW486.60 g/mol
LogP5.77
Rot. Bonds6

About 2-[4-[(2,7-dimethylbenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

2-[4-[(2,7-dimethylbenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 20747545) has the molecular formula C27H26N4O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is 2-[4-[(2,7-dimethylbenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-[4-[(2,7-dimethylbenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID20747545
Molecular FormulaC27H26N4O3S
Molecular Weight486.60 g/mol
Exact Mass486.17
IUPAC Name2-[4-[(2,7-dimethylbenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(Cn3c(C)nc4cccc(C)c43)cc2)c1C
InChIInChI=1S/C27H26N4O3S/c1-17-8-7-10-24-26(17)31(20(4)28-24)16-21-12-14-22(15-13-21)23-9-5-6-11-25(23)35(32,33)30-27-18(2)19(3)29-34-27/h5-15,30H,16H2,1-4H3
InChIKeyHSBQMWKTNPJJAO-UHFFFAOYSA-N
XLogP5.77
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.60
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(2,7-dimethylbenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide 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 2-[4-[(2,7-dimethylbenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-[4-[(2,7-dimethylbenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 20747545) is 2-[4-[(2,7-dimethylbenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-[4-[(2,7-dimethylbenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-[4-[(2,7-dimethylbenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(Cn3c(C)nc4cccc(C)c43)cc2)c1C.
What is the InChIKey of 2-[4-[(2,7-dimethylbenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is HSBQMWKTNPJJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S/c1-17-8-7-10-24-26(17)31(20(4)28-24)16-21-12-14-22(15-13-21)23-9-5-6-11-25(23)35(32,33)30-27-18(2)19(3)29-34-27/h5-15,30H,16H2,1-4H3.
What are the key properties of 2-[4-[(2,7-dimethylbenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
2-[4-[(2,7-dimethylbenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 486.60 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,7-dimethylbenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20747545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).