N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide

C15H19N5O2S — CID 71688305

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2nc3ccccc3n2C)cn1
InChIInChI=1S/C15H19N5O2S/c1-11(2)20-10-12(8-16-20)23(21,22)17-9-15-18-13-6-4-5-7-14(13)19(15)3/h4-8,10-11,17H,9H2,1-3H3
InChIKeyGBYZHCRNWXTVDH-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.83
Rot. Bonds5

About N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide

N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 71688305) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID71688305
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2nc3ccccc3n2C)cn1
InChIInChI=1S/C15H19N5O2S/c1-11(2)20-10-12(8-16-20)23(21,22)17-9-15-18-13-6-4-5-7-14(13)19(15)3/h4-8,10-11,17H,9H2,1-3H3
InChIKeyGBYZHCRNWXTVDH-UHFFFAOYSA-N
XLogP1.83
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-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-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide (CID 71688305) is N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)NCc2nc3ccccc3n2C)cn1.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is GBYZHCRNWXTVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-11(2)20-10-12(8-16-20)23(21,22)17-9-15-18-13-6-4-5-7-14(13)19(15)3/h4-8,10-11,17H,9H2,1-3H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 333.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71688305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).