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

C27H26N6O2S — CID 25269948

IUPAC4-[[5-(6-butyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide
SMILESCCCCc1cccc(-c2[nH]c(Cc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C27H26N6O2S/c1-2-3-5-20-6-4-7-23(31-20)27-26(19-10-13-22-24(17-19)30-15-14-29-22)32-25(33-27)16-18-8-11-21(12-9-18)36(28,34)35/h4,6-15,17H,2-3,5,16H2,1H3,(H,32,33)(H2,28,34,35)
InChIKeyYMWLECGFICWASP-UHFFFAOYSA-N
MW498.61 g/mol
LogP4.66
Rot. Bonds8

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

4-[[5-(6-butyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide (PubChem CID 25269948) has the molecular formula C27H26N6O2S and a molecular weight of 498.61 g/mol. Its IUPAC name is 4-[[5-(6-butyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(6-butyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide
PubChem CID25269948
Molecular FormulaC27H26N6O2S
Molecular Weight498.61 g/mol
Exact Mass498.18
IUPAC Name4-[[5-(6-butyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide
SMILESCCCCc1cccc(-c2[nH]c(Cc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C27H26N6O2S/c1-2-3-5-20-6-4-7-23(31-20)27-26(19-10-13-22-24(17-19)30-15-14-29-22)32-25(33-27)16-18-8-11-21(12-9-18)36(28,34)35/h4,6-15,17H,2-3,5,16H2,1H3,(H,32,33)(H2,28,34,35)
InChIKeyYMWLECGFICWASP-UHFFFAOYSA-N
XLogP4.66
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(6-butyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-[[5-(6-butyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide (CID 25269948) is 4-[[5-(6-butyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[5-(6-butyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[5-(6-butyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide is CCCCc1cccc(-c2[nH]c(Cc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 4-[[5-(6-butyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is YMWLECGFICWASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2S/c1-2-3-5-20-6-4-7-23(31-20)27-26(19-10-13-22-24(17-19)30-15-14-29-22)32-25(33-27)16-18-8-11-21(12-9-18)36(28,34)35/h4,6-15,17H,2-3,5,16H2,1H3,(H,32,33)(H2,28,34,35).
What are the key properties of 4-[[5-(6-butyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
4-[[5-(6-butyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 498.61 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(6-butyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 25269948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).