2-methyl-5-[(2-methylbenzimidazol-2-yl)methyl]-N-(3-phenylpropyl)benzenesulfonamide

C25H27N3O2S — CID 67821426

IUPAC2-methyl-5-[(2-methylbenzimidazol-2-yl)methyl]-N-(3-phenylpropyl)benzenesulfonamide
SMILESCc1ccc(CC2(C)N=c3ccccc3=N2)cc1S(=O)(=O)NCCCc1ccccc1
InChIInChI=1S/C25H27N3O2S/c1-19-14-15-21(18-25(2)27-22-12-6-7-13-23(22)28-25)17-24(19)31(29,30)26-16-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-15,17,26H,8,11,16,18H2,1-2H3
InChIKeyVRHYGMMFGIILPZ-UHFFFAOYSA-N
MW433.58 g/mol
LogP3.12
Rot. Bonds8

About 2-methyl-5-[(2-methylbenzimidazol-2-yl)methyl]-N-(3-phenylpropyl)benzenesulfonamide

2-methyl-5-[(2-methylbenzimidazol-2-yl)methyl]-N-(3-phenylpropyl)benzenesulfonamide (PubChem CID 67821426) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylbenzimidazol-2-yl)methyl]-N-(3-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-[(2-methylbenzimidazol-2-yl)methyl]-N-(3-phenylpropyl)benzenesulfonamide
PubChem CID67821426
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC Name2-methyl-5-[(2-methylbenzimidazol-2-yl)methyl]-N-(3-phenylpropyl)benzenesulfonamide
SMILESCc1ccc(CC2(C)N=c3ccccc3=N2)cc1S(=O)(=O)NCCCc1ccccc1
InChIInChI=1S/C25H27N3O2S/c1-19-14-15-21(18-25(2)27-22-12-6-7-13-23(22)28-25)17-24(19)31(29,30)26-16-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-15,17,26H,8,11,16,18H2,1-2H3
InChIKeyVRHYGMMFGIILPZ-UHFFFAOYSA-N
XLogP3.12
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946
5-[(2-methylbenzimidazol-2-yl)methyl]-2-(2-phenylethyl)benzenesulfonamide
CID 67875289
2-bromo-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 55573437
2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 60905949
N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide
CID 110417713
2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide
CID 62145986
2,4,5-trichloro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680947
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 3790089
4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 110758856
2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044146
2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994846

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylbenzimidazol-2-yl)methyl]-N-(3-phenylpropyl)benzenesulfonamide?
The IUPAC name of 2-methyl-5-[(2-methylbenzimidazol-2-yl)methyl]-N-(3-phenylpropyl)benzenesulfonamide (CID 67821426) is 2-methyl-5-[(2-methylbenzimidazol-2-yl)methyl]-N-(3-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-[(2-methylbenzimidazol-2-yl)methyl]-N-(3-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-[(2-methylbenzimidazol-2-yl)methyl]-N-(3-phenylpropyl)benzenesulfonamide is Cc1ccc(CC2(C)N=c3ccccc3=N2)cc1S(=O)(=O)NCCCc1ccccc1.
What is the InChIKey of 2-methyl-5-[(2-methylbenzimidazol-2-yl)methyl]-N-(3-phenylpropyl)benzenesulfonamide?
The InChIKey is VRHYGMMFGIILPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-19-14-15-21(18-25(2)27-22-12-6-7-13-23(22)28-25)17-24(19)31(29,30)26-16-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-15,17,26H,8,11,16,18H2,1-2H3.
What are the key properties of 2-methyl-5-[(2-methylbenzimidazol-2-yl)methyl]-N-(3-phenylpropyl)benzenesulfonamide?
2-methyl-5-[(2-methylbenzimidazol-2-yl)methyl]-N-(3-phenylpropyl)benzenesulfonamide has a molecular weight of 433.58 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylbenzimidazol-2-yl)methyl]-N-(3-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 67821426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).