4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide

C22H28N4O3S — CID 50825231

IUPAC4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide
SMILESCCCCS(=O)(=O)Nc1ccc2c(c1)nc(-c1ccc(C(=O)NCCC)cc1)n2C
InChIInChI=1S/C22H28N4O3S/c1-4-6-14-30(28,29)25-18-11-12-20-19(15-18)24-21(26(20)3)16-7-9-17(10-8-16)22(27)23-13-5-2/h7-12,15,25H,4-6,13-14H2,1-3H3,(H,23,27)
InChIKeyALMVGIHEVRPFBG-UHFFFAOYSA-N
MW428.56 g/mol
LogP3.92
Rot. Bonds9

About 4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide

4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide (PubChem CID 50825231) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is 4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide
PubChem CID50825231
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC Name4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide
SMILESCCCCS(=O)(=O)Nc1ccc2c(c1)nc(-c1ccc(C(=O)NCCC)cc1)n2C
InChIInChI=1S/C22H28N4O3S/c1-4-6-14-30(28,29)25-18-11-12-20-19(15-18)24-21(26(20)3)16-7-9-17(10-8-16)22(27)23-13-5-2/h7-12,15,25H,4-6,13-14H2,1-3H3,(H,23,27)
InChIKeyALMVGIHEVRPFBG-UHFFFAOYSA-N
XLogP3.92
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide
CID 50825245
N-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide
CID 110779248
N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide
CID 50825657
4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825233
4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825351
4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825266
4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide
CID 50825285
4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825236
4-[5-[(3-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825229
4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825278
3-(3-chloropropylsulfonylamino)-N-propylbenzamide
CID 60959205
3-(4-chlorobutylsulfonylamino)-N-propylbenzamide
CID 116815540

Frequently Asked Questions

What is the IUPAC name of 4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide?
The IUPAC name of 4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide (CID 50825231) is 4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide.
What is the SMILES notation for 4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide?
The canonical SMILES for 4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide is CCCCS(=O)(=O)Nc1ccc2c(c1)nc(-c1ccc(C(=O)NCCC)cc1)n2C.
What is the InChIKey of 4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide?
The InChIKey is ALMVGIHEVRPFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c1-4-6-14-30(28,29)25-18-11-12-20-19(15-18)24-21(26(20)3)16-7-9-17(10-8-16)22(27)23-13-5-2/h7-12,15,25H,4-6,13-14H2,1-3H3,(H,23,27).
What are the key properties of 4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide?
4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide has a molecular weight of 428.56 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide is sourced from PubChem (CID 50825231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).