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

C30H35N3O3S — CID 24825361

IUPACN-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCCc2[nH]c(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H35N3O3S/c1-3-4-6-10-23-14-20-27(21-15-23)37(34,35)31-22-9-13-28-29(24-16-18-26(36-2)19-17-24)33-30(32-28)25-11-7-5-8-12-25/h5,7-8,11-12,14-21,31H,3-4,6,9-10,13,22H2,1-2H3,(H,32,33)
InChIKeySPQFEFPDZVEBGD-UHFFFAOYSA-N
MW517.70 g/mol
LogP6.40
Rot. Bonds13

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

N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide (PubChem CID 24825361) has the molecular formula C30H35N3O3S and a molecular weight of 517.70 g/mol. Its IUPAC name is N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide
PubChem CID24825361
Molecular FormulaC30H35N3O3S
Molecular Weight517.70 g/mol
Exact Mass517.24
IUPAC NameN-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCCc2[nH]c(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H35N3O3S/c1-3-4-6-10-23-14-20-27(21-15-23)37(34,35)31-22-9-13-28-29(24-16-18-26(36-2)19-17-24)33-30(32-28)25-11-7-5-8-12-25/h5,7-8,11-12,14-21,31H,3-4,6,9-10,13,22H2,1-2H3,(H,32,33)
InChIKeySPQFEFPDZVEBGD-UHFFFAOYSA-N
XLogP6.40
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.70
LogP ≤ 56.40
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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Related Compounds

Fenflumizole
CID 68917
4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
CID 1122713
N-{2-[5-(4-methoxyphenyl)-2-(thiophen-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 11466350
2,4,5-Tri-substituted imidazole, 2
CID 24825343
N-{2-[5-(3-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825347
N-{2-[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825350
N-{2-[5-(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825351
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-4-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825356
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-3-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825358
N-{2-[5-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825360
N-{3-[5-(4-methoxyphenyl)-2-(thiophen-2-yl)-1H-imidazol-4-yl]propyl}-4-pentylbenzene-1-sulfonamide
CID 24825362
N-{2-[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]ethyl}-4-methylbenzene-1-sulfonamide
CID 24825363

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide (CID 24825361) is N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(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-pentylbenzenesulfonamide?
The InChIKey is SPQFEFPDZVEBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3S/c1-3-4-6-10-23-14-20-27(21-15-23)37(34,35)31-22-9-13-28-29(24-16-18-26(36-2)19-17-24)33-30(32-28)25-11-7-5-8-12-25/h5,7-8,11-12,14-21,31H,3-4,6,9-10,13,22H2,1-2H3,(H,32,33).
What are the key properties of N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide?
N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide has a molecular weight of 517.70 g/mol, XLogP of 6.40, 13 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-pentylbenzenesulfonamide is sourced from PubChem (CID 24825361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).