4-methyl-N-[2-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenyl]benzenesulfonamide

C24H26N4O2S — CID 1147318

IUPAC4-methyl-N-[2-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenyl]benzenesulfonamide
SMILESCCCn1c(NCc2ccccc2NS(=O)(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C24H26N4O2S/c1-3-16-28-23-11-7-6-10-22(23)26-24(28)25-17-19-8-4-5-9-21(19)27-31(29,30)20-14-12-18(2)13-15-20/h4-15,27H,3,16-17H2,1-2H3,(H,25,26)
InChIKeyCBFITEZYNMDVPK-UHFFFAOYSA-N
MW434.57 g/mol
LogP5.17
Rot. Bonds8

About 4-methyl-N-[2-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenyl]benzenesulfonamide

4-methyl-N-[2-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenyl]benzenesulfonamide (PubChem CID 1147318) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 4-methyl-N-[2-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenyl]benzenesulfonamide
PubChem CID1147318
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name4-methyl-N-[2-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenyl]benzenesulfonamide
SMILESCCCn1c(NCc2ccccc2NS(=O)(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C24H26N4O2S/c1-3-16-28-23-11-7-6-10-22(23)26-24(28)25-17-19-8-4-5-9-21(19)27-31(29,30)20-14-12-18(2)13-15-20/h4-15,27H,3,16-17H2,1-2H3,(H,25,26)
InChIKeyCBFITEZYNMDVPK-UHFFFAOYSA-N
XLogP5.17
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.57
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenyl]benzenesulfonamide (CID 1147318) is 4-methyl-N-[2-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenyl]benzenesulfonamide is CCCn1c(NCc2ccccc2NS(=O)(=O)c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of 4-methyl-N-[2-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenyl]benzenesulfonamide?
The InChIKey is CBFITEZYNMDVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-3-16-28-23-11-7-6-10-22(23)26-24(28)25-17-19-8-4-5-9-21(19)27-31(29,30)20-14-12-18(2)13-15-20/h4-15,27H,3,16-17H2,1-2H3,(H,25,26).
What are the key properties of 4-methyl-N-[2-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenyl]benzenesulfonamide?
4-methyl-N-[2-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenyl]benzenesulfonamide has a molecular weight of 434.57 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 1147318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).