N-butan-2-yl-3-cyclohexyl-2-(4-methylanilino)benzimidazole-5-sulfonamide

C24H32N4O2S — CID 44529759

IUPACN-butan-2-yl-3-cyclohexyl-2-(4-methylanilino)benzimidazole-5-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)cc3)n(C3CCCCC3)c2c1
InChIInChI=1S/C24H32N4O2S/c1-4-18(3)27-31(29,30)21-14-15-22-23(16-21)28(20-8-6-5-7-9-20)24(26-22)25-19-12-10-17(2)11-13-19/h10-16,18,20,27H,4-9H2,1-3H3,(H,25,26)
InChIKeyQNMBLVODQNTODY-UHFFFAOYSA-N
MW440.61 g/mol
LogP5.67
Rot. Bonds7

About N-butan-2-yl-3-cyclohexyl-2-(4-methylanilino)benzimidazole-5-sulfonamide

N-butan-2-yl-3-cyclohexyl-2-(4-methylanilino)benzimidazole-5-sulfonamide (PubChem CID 44529759) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-butan-2-yl-3-cyclohexyl-2-(4-methylanilino)benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-3-cyclohexyl-2-(4-methylanilino)benzimidazole-5-sulfonamide
PubChem CID44529759
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC NameN-butan-2-yl-3-cyclohexyl-2-(4-methylanilino)benzimidazole-5-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)cc3)n(C3CCCCC3)c2c1
InChIInChI=1S/C24H32N4O2S/c1-4-18(3)27-31(29,30)21-14-15-22-23(16-21)28(20-8-6-5-7-9-20)24(26-22)25-19-12-10-17(2)11-13-19/h10-16,18,20,27H,4-9H2,1-3H3,(H,25,26)
InChIKeyQNMBLVODQNTODY-UHFFFAOYSA-N
XLogP5.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.61
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Grapiprant
CID 11677589
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CID 11710963
4-(5-Benzenesulfonylamino-1-methyl-1H-benzoimidazol-2-ylmethyl)-benzamidine
CID 446805
N-[[4-(diethylamino)phenyl]methyl]-1-[2-(1-piperidinyl)ethyl]-2-benzimidazolamine
CID 1290899
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 780101
Ensulizole sodium
CID 23663543
Oryzalin metabolite OR-14
CID 101913340
1-butyl-N-[4-(dimethylamino)benzyl]-1H-benzimidazol-2-amine
CID 2960719
N-(2-benzylphenyl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 4239327
2-(3-phenylpiperidin-1-yl)-6-propylsulfonyl-1H-benzimidazole
CID 71458601
N-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide
CID 122179031

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-cyclohexyl-2-(4-methylanilino)benzimidazole-5-sulfonamide?
The IUPAC name of N-butan-2-yl-3-cyclohexyl-2-(4-methylanilino)benzimidazole-5-sulfonamide (CID 44529759) is N-butan-2-yl-3-cyclohexyl-2-(4-methylanilino)benzimidazole-5-sulfonamide.
What is the SMILES notation for N-butan-2-yl-3-cyclohexyl-2-(4-methylanilino)benzimidazole-5-sulfonamide?
The canonical SMILES for N-butan-2-yl-3-cyclohexyl-2-(4-methylanilino)benzimidazole-5-sulfonamide is CCC(C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)cc3)n(C3CCCCC3)c2c1.
What is the InChIKey of N-butan-2-yl-3-cyclohexyl-2-(4-methylanilino)benzimidazole-5-sulfonamide?
The InChIKey is QNMBLVODQNTODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-4-18(3)27-31(29,30)21-14-15-22-23(16-21)28(20-8-6-5-7-9-20)24(26-22)25-19-12-10-17(2)11-13-19/h10-16,18,20,27H,4-9H2,1-3H3,(H,25,26).
What are the key properties of N-butan-2-yl-3-cyclohexyl-2-(4-methylanilino)benzimidazole-5-sulfonamide?
N-butan-2-yl-3-cyclohexyl-2-(4-methylanilino)benzimidazole-5-sulfonamide has a molecular weight of 440.61 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-cyclohexyl-2-(4-methylanilino)benzimidazole-5-sulfonamide is sourced from PubChem (CID 44529759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).