N-methyl-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N-propylpyrrolidine-1-sulfonamide

C16H28N4O2S — CID 102554212

IUPACN-methyl-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N-propylpyrrolidine-1-sulfonamide
SMILESCCCN(C)S(=O)(=O)N1CCCC1c1nc2c(n1C)CCCC2
InChIInChI=1S/C16H28N4O2S/c1-4-11-18(2)23(21,22)20-12-7-10-15(20)16-17-13-8-5-6-9-14(13)19(16)3/h15H,4-12H2,1-3H3
InChIKeyMNEIQANBWOTMRM-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.02
Rot. Bonds5

About N-methyl-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N-propylpyrrolidine-1-sulfonamide

N-methyl-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N-propylpyrrolidine-1-sulfonamide (PubChem CID 102554212) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-methyl-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N-propylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N-propylpyrrolidine-1-sulfonamide
PubChem CID102554212
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC NameN-methyl-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N-propylpyrrolidine-1-sulfonamide
SMILESCCCN(C)S(=O)(=O)N1CCCC1c1nc2c(n1C)CCCC2
InChIInChI=1S/C16H28N4O2S/c1-4-11-18(2)23(21,22)20-12-7-10-15(20)16-17-13-8-5-6-9-14(13)19(16)3/h15H,4-12H2,1-3H3
InChIKeyMNEIQANBWOTMRM-UHFFFAOYSA-N
XLogP2.02
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N-propylpyrrolidine-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N-propylpyrrolidine-1-sulfonamide?
The IUPAC name of N-methyl-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N-propylpyrrolidine-1-sulfonamide (CID 102554212) is N-methyl-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N-propylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-methyl-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N-propylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-methyl-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N-propylpyrrolidine-1-sulfonamide is CCCN(C)S(=O)(=O)N1CCCC1c1nc2c(n1C)CCCC2.
What is the InChIKey of N-methyl-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N-propylpyrrolidine-1-sulfonamide?
The InChIKey is MNEIQANBWOTMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-4-11-18(2)23(21,22)20-12-7-10-15(20)16-17-13-8-5-6-9-14(13)19(16)3/h15H,4-12H2,1-3H3.
What are the key properties of N-methyl-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N-propylpyrrolidine-1-sulfonamide?
N-methyl-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N-propylpyrrolidine-1-sulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N-propylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 102554212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).