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

C26H24N6O2S — CID 25269951

IUPAC4-[[5-(6-propan-2-yl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide
SMILESCC(C)c1cccc(-c2[nH]c(Cc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C26H24N6O2S/c1-16(2)20-4-3-5-22(30-20)26-25(18-8-11-21-23(15-18)29-13-12-28-21)31-24(32-26)14-17-6-9-19(10-7-17)35(27,33)34/h3-13,15-16H,14H2,1-2H3,(H,31,32)(H2,27,33,34)
InChIKeyVSOCRDFPGLHKNV-UHFFFAOYSA-N
MW484.59 g/mol
LogP4.44
Rot. Bonds6

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

4-[[5-(6-propan-2-yl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide (PubChem CID 25269951) has the molecular formula C26H24N6O2S and a molecular weight of 484.59 g/mol. Its IUPAC name is 4-[[5-(6-propan-2-yl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(6-propan-2-yl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide
PubChem CID25269951
Molecular FormulaC26H24N6O2S
Molecular Weight484.59 g/mol
Exact Mass484.17
IUPAC Name4-[[5-(6-propan-2-yl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide
SMILESCC(C)c1cccc(-c2[nH]c(Cc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C26H24N6O2S/c1-16(2)20-4-3-5-22(30-20)26-25(18-8-11-21-23(15-18)29-13-12-28-21)31-24(32-26)14-17-6-9-19(10-7-17)35(27,33)34/h3-13,15-16H,14H2,1-2H3,(H,31,32)(H2,27,33,34)
InChIKeyVSOCRDFPGLHKNV-UHFFFAOYSA-N
XLogP4.44
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(6-propan-2-yl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-[[5-(6-propan-2-yl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide (CID 25269951) is 4-[[5-(6-propan-2-yl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[5-(6-propan-2-yl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[5-(6-propan-2-yl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide is CC(C)c1cccc(-c2[nH]c(Cc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 4-[[5-(6-propan-2-yl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is VSOCRDFPGLHKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2S/c1-16(2)20-4-3-5-22(30-20)26-25(18-8-11-21-23(15-18)29-13-12-28-21)31-24(32-26)14-17-6-9-19(10-7-17)35(27,33)34/h3-13,15-16H,14H2,1-2H3,(H,31,32)(H2,27,33,34).
What are the key properties of 4-[[5-(6-propan-2-yl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
4-[[5-(6-propan-2-yl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 484.59 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(6-propan-2-yl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 25269951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).