N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide

C28H31N3O3S — CID 59641976

IUPACN-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCCc2[nH]c(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H31N3O3S/c1-3-8-21-12-18-25(19-13-21)35(32,33)29-20-7-11-26-27(22-14-16-24(34-2)17-15-22)31-28(30-26)23-9-5-4-6-10-23/h4-6,9-10,12-19,29H,3,7-8,11,20H2,1-2H3,(H,30,31)
InChIKeyMUSFORZAHNBMIO-UHFFFAOYSA-N
MW489.64 g/mol
LogP5.62
Rot. Bonds11

About N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide

N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide (PubChem CID 59641976) has the molecular formula C28H31N3O3S and a molecular weight of 489.64 g/mol. Its IUPAC name is N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide
PubChem CID59641976
Molecular FormulaC28H31N3O3S
Molecular Weight489.64 g/mol
Exact Mass489.21
IUPAC NameN-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCCc2[nH]c(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H31N3O3S/c1-3-8-21-12-18-25(19-13-21)35(32,33)29-20-7-11-26-27(22-14-16-24(34-2)17-15-22)31-28(30-26)23-9-5-4-6-10-23/h4-6,9-10,12-19,29H,3,7-8,11,20H2,1-2H3,(H,30,31)
InChIKeyMUSFORZAHNBMIO-UHFFFAOYSA-N
XLogP5.62
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.64
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide (CID 59641976) is N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCCCc2[nH]c(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide?
The InChIKey is MUSFORZAHNBMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3S/c1-3-8-21-12-18-25(19-13-21)35(32,33)29-20-7-11-26-27(22-14-16-24(34-2)17-15-22)31-28(30-26)23-9-5-4-6-10-23/h4-6,9-10,12-19,29H,3,7-8,11,20H2,1-2H3,(H,30,31).
What are the key properties of N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide?
N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide has a molecular weight of 489.64 g/mol, XLogP of 5.62, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 59641976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).