N,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide

C19H17N5O2S — CID 3728615

IUPACN,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESN#CCCN(CCC#N)S(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C19H17N5O2S/c20-10-4-12-24(13-5-11-21)27(25,26)16-8-9-17-18(14-16)23-19(22-17)15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,12-13H2,(H,22,23)
InChIKeyGBNXYIPNJXIBPA-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.05
Rot. Bonds7

About N,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide

N,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide (PubChem CID 3728615) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
PubChem CID3728615
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC NameN,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESN#CCCN(CCC#N)S(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C19H17N5O2S/c20-10-4-12-24(13-5-11-21)27(25,26)16-8-9-17-18(14-16)23-19(22-17)15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,12-13H2,(H,22,23)
InChIKeyGBNXYIPNJXIBPA-UHFFFAOYSA-N
XLogP3.05
TPSA113.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-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,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide (CID 3728615) is N,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide is N#CCCN(CCC#N)S(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is GBNXYIPNJXIBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c20-10-4-12-24(13-5-11-21)27(25,26)16-8-9-17-18(14-16)23-19(22-17)15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,12-13H2,(H,22,23).
What are the key properties of N,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
N,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 379.45 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 3728615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).