2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine

C18H30N4O2S — CID 143022121

IUPAC2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine
SMILESCCN(CC)S(=O)(=O)N(C)c1ccc2c(c1)nc(C(C)(C)C)n2CC
InChIInChI=1S/C18H30N4O2S/c1-8-21(9-2)25(23,24)20(7)14-11-12-16-15(13-14)19-17(18(4,5)6)22(16)10-3/h11-13H,8-10H2,1-7H3
InChIKeyGBEMMPMCCKJFNX-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.38
Rot. Bonds6

About 2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine

2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine (PubChem CID 143022121) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine
PubChem CID143022121
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine
SMILESCCN(CC)S(=O)(=O)N(C)c1ccc2c(c1)nc(C(C)(C)C)n2CC
InChIInChI=1S/C18H30N4O2S/c1-8-21(9-2)25(23,24)20(7)14-11-12-16-15(13-14)19-17(18(4,5)6)22(16)10-3/h11-13H,8-10H2,1-7H3
InChIKeyGBEMMPMCCKJFNX-UHFFFAOYSA-N
XLogP3.38
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine
CID 143022253
2-tert-butyl-1-ethyl-N-methyl-N-piperazin-1-ylsulfanylbenzimidazol-5-amine
CID 143204263
2-tert-butyl-1-ethyl-N-methyl-N-(3-methylimidazol-3-ium-1-yl)sulfanylbenzimidazol-5-amine
CID 143204170
2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane
CID 142973027
4-amino-N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 11408421
N-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 11282152
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 11178925
2-tert-butyl-1-ethyl-N-methyl-N-(4-nitrophenyl)sulfanylbenzimidazol-5-amine;heptane
CID 143022293
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 11465273
1-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]-N-ethylpyrazole-3-carboxamide
CID 69348187
N-[4-[(2-tert-butyl-1-ethylbenzimidazol-5-yl)-methylamino]sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide
CID 143022312
N-[2-tert-butyl-1-[(2-methyloxan-2-yl)methyl]benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 71067106

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine?
The IUPAC name of 2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine (CID 143022121) is 2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine.
What is the SMILES notation for 2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine?
The canonical SMILES for 2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine is CCN(CC)S(=O)(=O)N(C)c1ccc2c(c1)nc(C(C)(C)C)n2CC.
What is the InChIKey of 2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine?
The InChIKey is GBEMMPMCCKJFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-8-21(9-2)25(23,24)20(7)14-11-12-16-15(13-14)19-17(18(4,5)6)22(16)10-3/h11-13H,8-10H2,1-7H3.
What are the key properties of 2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine?
2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine has a molecular weight of 366.53 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine is sourced from PubChem (CID 143022121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).