4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide

C26H28N4O3S — CID 50825351

IUPAC4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide
SMILESCc1ccc(CS(=O)(=O)Nc2ccc3c(c2)nc(-c2ccc(C(=O)NC(C)C)cc2)n3C)cc1
InChIInChI=1S/C26H28N4O3S/c1-17(2)27-26(31)21-11-9-20(10-12-21)25-28-23-15-22(13-14-24(23)30(25)4)29-34(32,33)16-19-7-5-18(3)6-8-19/h5-15,17,29H,16H2,1-4H3,(H,27,31)
InChIKeyMMZZFIYMLIGMKP-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.63
Rot. Bonds7

About 4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide

4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide (PubChem CID 50825351) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is 4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide
PubChem CID50825351
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide
SMILESCc1ccc(CS(=O)(=O)Nc2ccc3c(c2)nc(-c2ccc(C(=O)NC(C)C)cc2)n3C)cc1
InChIInChI=1S/C26H28N4O3S/c1-17(2)27-26(31)21-11-9-20(10-12-21)25-28-23-15-22(13-14-24(23)30(25)4)29-34(32,33)16-19-7-5-18(3)6-8-19/h5-15,17,29H,16H2,1-4H3,(H,27,31)
InChIKeyMMZZFIYMLIGMKP-UHFFFAOYSA-N
XLogP4.63
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825233
4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825278
4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide
CID 50825231
N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide
CID 50825657
4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825266
4-[5-[(3-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825229
4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825236
4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide
CID 50825245
1-benzyl-N-propan-2-yl-2-[4-(propan-2-ylcarbamoyl)phenyl]benzimidazole-5-carboxamide
CID 4915611
4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide
CID 50825285
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
4-[(4-methylphenyl)methylsulfonylamino]benzamide
CID 110756530

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide (CID 50825351) is 4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide is Cc1ccc(CS(=O)(=O)Nc2ccc3c(c2)nc(-c2ccc(C(=O)NC(C)C)cc2)n3C)cc1.
What is the InChIKey of 4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide?
The InChIKey is MMZZFIYMLIGMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-17(2)27-26(31)21-11-9-20(10-12-21)25-28-23-15-22(13-14-24(23)30(25)4)29-34(32,33)16-19-7-5-18(3)6-8-19/h5-15,17,29H,16H2,1-4H3,(H,27,31).
What are the key properties of 4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide?
4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide has a molecular weight of 476.60 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 50825351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).