4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide

C26H24N6O2S — CID 25269947

IUPAC4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide
SMILESCCCc1cccc(-c2[nH]c(Cc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C26H24N6O2S/c1-2-4-19-5-3-6-22(30-19)26-25(18-9-12-21-23(16-18)29-14-13-28-21)31-24(32-26)15-17-7-10-20(11-8-17)35(27,33)34/h3,5-14,16H,2,4,15H2,1H3,(H,31,32)(H2,27,33,34)
InChIKeyUZSZMBZAZQLYFS-UHFFFAOYSA-N
MW484.59 g/mol
LogP4.27
Rot. Bonds7

About 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide

4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide (PubChem CID 25269947) has the molecular formula C26H24N6O2S and a molecular weight of 484.59 g/mol. Its IUPAC name is 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide
PubChem CID25269947
Molecular FormulaC26H24N6O2S
Molecular Weight484.59 g/mol
Exact Mass484.17
IUPAC Name4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide
SMILESCCCc1cccc(-c2[nH]c(Cc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C26H24N6O2S/c1-2-4-19-5-3-6-22(30-19)26-25(18-9-12-21-23(16-18)29-14-13-28-21)31-24(32-26)15-17-7-10-20(11-8-17)35(27,33)34/h3,5-14,16H,2,4,15H2,1H3,(H,31,32)(H2,27,33,34)
InChIKeyUZSZMBZAZQLYFS-UHFFFAOYSA-N
XLogP4.27
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide 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 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide (CID 25269947) is 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide is CCCc1cccc(-c2[nH]c(Cc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is UZSZMBZAZQLYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2S/c1-2-4-19-5-3-6-22(30-19)26-25(18-9-12-21-23(16-18)29-14-13-28-21)31-24(32-26)15-17-7-10-20(11-8-17)35(27,33)34/h3,5-14,16H,2,4,15H2,1H3,(H,31,32)(H2,27,33,34).
What are the key properties of 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 484.59 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 25269947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).