N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide

C25H25N3O3S — CID 24825363

IUPACN-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H25N3O3S/c1-18-8-14-22(15-9-18)32(29,30)26-17-16-23-24(19-10-12-21(31-2)13-11-19)28-25(27-23)20-6-4-3-5-7-20/h3-15,26H,16-17H2,1-2H3,(H,27,28)
InChIKeyDSLOKYMAUNMOMC-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.58
Rot. Bonds8

About N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide

N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide (PubChem CID 24825363) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide
PubChem CID24825363
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC NameN-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H25N3O3S/c1-18-8-14-22(15-9-18)32(29,30)26-17-16-23-24(19-10-12-21(31-2)13-11-19)28-25(27-23)20-6-4-3-5-7-20/h3-15,26H,16-17H2,1-2H3,(H,27,28)
InChIKeyDSLOKYMAUNMOMC-UHFFFAOYSA-N
XLogP4.58
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide (CID 24825363) is N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide is COc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide?
The InChIKey is DSLOKYMAUNMOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-18-8-14-22(15-9-18)32(29,30)26-17-16-23-24(19-10-12-21(31-2)13-11-19)28-25(27-23)20-6-4-3-5-7-20/h3-15,26H,16-17H2,1-2H3,(H,27,28).
What are the key properties of N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide?
N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide has a molecular weight of 447.56 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 24825363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).