N-(1-ethyl-3-propylbenzimidazol-2-ylidene)-1-methylpyrazole-4-sulfonamide

C16H21N5O2S — CID 126840926

IUPACN-(1-ethyl-3-propylbenzimidazol-2-ylidene)-1-methylpyrazole-4-sulfonamide
SMILESCCCn1c(=NS(=O)(=O)c2cnn(C)c2)n(CC)c2ccccc21
InChIInChI=1S/C16H21N5O2S/c1-4-10-21-15-9-7-6-8-14(15)20(5-2)16(21)18-24(22,23)13-11-17-19(3)12-13/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyGBIINYBJUNXOQU-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.90
Rot. Bonds5

About N-(1-ethyl-3-propylbenzimidazol-2-ylidene)-1-methylpyrazole-4-sulfonamide

N-(1-ethyl-3-propylbenzimidazol-2-ylidene)-1-methylpyrazole-4-sulfonamide (PubChem CID 126840926) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(1-ethyl-3-propylbenzimidazol-2-ylidene)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-3-propylbenzimidazol-2-ylidene)-1-methylpyrazole-4-sulfonamide
PubChem CID126840926
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-(1-ethyl-3-propylbenzimidazol-2-ylidene)-1-methylpyrazole-4-sulfonamide
SMILESCCCn1c(=NS(=O)(=O)c2cnn(C)c2)n(CC)c2ccccc21
InChIInChI=1S/C16H21N5O2S/c1-4-10-21-15-9-7-6-8-14(15)20(5-2)16(21)18-24(22,23)13-11-17-19(3)12-13/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyGBIINYBJUNXOQU-UHFFFAOYSA-N
XLogP1.90
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1-ethyl-3-propylbenzimidazol-2-ylidene)-1-methylpyrazole-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-ethyl-3-propylbenzimidazol-2-ylidene)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(1-ethyl-3-propylbenzimidazol-2-ylidene)-1-methylpyrazole-4-sulfonamide (CID 126840926) is N-(1-ethyl-3-propylbenzimidazol-2-ylidene)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-ethyl-3-propylbenzimidazol-2-ylidene)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1-ethyl-3-propylbenzimidazol-2-ylidene)-1-methylpyrazole-4-sulfonamide is CCCn1c(=NS(=O)(=O)c2cnn(C)c2)n(CC)c2ccccc21.
What is the InChIKey of N-(1-ethyl-3-propylbenzimidazol-2-ylidene)-1-methylpyrazole-4-sulfonamide?
The InChIKey is GBIINYBJUNXOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-4-10-21-15-9-7-6-8-14(15)20(5-2)16(21)18-24(22,23)13-11-17-19(3)12-13/h6-9,11-12H,4-5,10H2,1-3H3.
What are the key properties of N-(1-ethyl-3-propylbenzimidazol-2-ylidene)-1-methylpyrazole-4-sulfonamide?
N-(1-ethyl-3-propylbenzimidazol-2-ylidene)-1-methylpyrazole-4-sulfonamide has a molecular weight of 347.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-propylbenzimidazol-2-ylidene)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 126840926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).