2-[4-(1-methylimidazol-2-yl)sulfonylbutylsulfonyl]-4,5-diphenyl-1H-imidazole

C23H24N4O4S2 — CID 23175642

IUPAC2-[4-(1-methylimidazol-2-yl)sulfonylbutylsulfonyl]-4,5-diphenyl-1H-imidazole
SMILESCn1ccnc1S(=O)(=O)CCCCS(=O)(=O)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C23H24N4O4S2/c1-27-15-14-24-23(27)33(30,31)17-9-8-16-32(28,29)22-25-20(18-10-4-2-5-11-18)21(26-22)19-12-6-3-7-13-19/h2-7,10-15H,8-9,16-17H2,1H3,(H,25,26)
InChIKeyVHMRAZPBGVCDQH-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.51
Rot. Bonds9

About 2-[4-(1-methylimidazol-2-yl)sulfonylbutylsulfonyl]-4,5-diphenyl-1H-imidazole

2-[4-(1-methylimidazol-2-yl)sulfonylbutylsulfonyl]-4,5-diphenyl-1H-imidazole (PubChem CID 23175642) has the molecular formula C23H24N4O4S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-[4-(1-methylimidazol-2-yl)sulfonylbutylsulfonyl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-[4-(1-methylimidazol-2-yl)sulfonylbutylsulfonyl]-4,5-diphenyl-1H-imidazole
PubChem CID23175642
Molecular FormulaC23H24N4O4S2
Molecular Weight484.60 g/mol
Exact Mass484.12
IUPAC Name2-[4-(1-methylimidazol-2-yl)sulfonylbutylsulfonyl]-4,5-diphenyl-1H-imidazole
SMILESCn1ccnc1S(=O)(=O)CCCCS(=O)(=O)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C23H24N4O4S2/c1-27-15-14-24-23(27)33(30,31)17-9-8-16-32(28,29)22-25-20(18-10-4-2-5-11-18)21(26-22)19-12-6-3-7-13-19/h2-7,10-15H,8-9,16-17H2,1H3,(H,25,26)
InChIKeyVHMRAZPBGVCDQH-UHFFFAOYSA-N
XLogP3.51
TPSA114.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylimidazol-2-yl)sulfonylbutylsulfonyl]-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-[4-(1-methylimidazol-2-yl)sulfonylbutylsulfonyl]-4,5-diphenyl-1H-imidazole (CID 23175642) is 2-[4-(1-methylimidazol-2-yl)sulfonylbutylsulfonyl]-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-[4-(1-methylimidazol-2-yl)sulfonylbutylsulfonyl]-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-[4-(1-methylimidazol-2-yl)sulfonylbutylsulfonyl]-4,5-diphenyl-1H-imidazole is Cn1ccnc1S(=O)(=O)CCCCS(=O)(=O)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-[4-(1-methylimidazol-2-yl)sulfonylbutylsulfonyl]-4,5-diphenyl-1H-imidazole?
The InChIKey is VHMRAZPBGVCDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S2/c1-27-15-14-24-23(27)33(30,31)17-9-8-16-32(28,29)22-25-20(18-10-4-2-5-11-18)21(26-22)19-12-6-3-7-13-19/h2-7,10-15H,8-9,16-17H2,1H3,(H,25,26).
What are the key properties of 2-[4-(1-methylimidazol-2-yl)sulfonylbutylsulfonyl]-4,5-diphenyl-1H-imidazole?
2-[4-(1-methylimidazol-2-yl)sulfonylbutylsulfonyl]-4,5-diphenyl-1H-imidazole has a molecular weight of 484.60 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylimidazol-2-yl)sulfonylbutylsulfonyl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 23175642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).