N-[2-[4-(4-methoxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide

C27H31N5O3S — CID 24825359

IUPACN-[2-[4-(4-methoxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3cnccn3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H31N5O3S/c1-3-4-5-6-20-7-13-23(14-8-20)36(33,34)30-16-15-24-26(21-9-11-22(35-2)12-10-21)32-27(31-24)25-19-28-17-18-29-25/h7-14,17-19,30H,3-6,15-16H2,1-2H3,(H,31,32)
InChIKeyUPKZDOWFHUACHP-UHFFFAOYSA-N
MW505.64 g/mol
LogP4.80
Rot. Bonds12

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

N-[2-[4-(4-methoxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide (PubChem CID 24825359) has the molecular formula C27H31N5O3S and a molecular weight of 505.64 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
PubChem CID24825359
Molecular FormulaC27H31N5O3S
Molecular Weight505.64 g/mol
Exact Mass505.21
IUPAC NameN-[2-[4-(4-methoxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3cnccn3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H31N5O3S/c1-3-4-5-6-20-7-13-23(14-8-20)36(33,34)30-16-15-24-26(21-9-11-22(35-2)12-10-21)32-27(31-24)25-19-28-17-18-29-25/h7-14,17-19,30H,3-6,15-16H2,1-2H3,(H,31,32)
InChIKeyUPKZDOWFHUACHP-UHFFFAOYSA-N
XLogP4.80
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.64
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
N-{2-[5-(4-methoxyphenyl)-2-(thiophen-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 11466350
4-(6-methoxy-2-naphthyl)-2-(4-methylsulfinylphenyl)-5-(4-pyridyl)-1H-imidazole
CID 23625762
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide (CID 24825359) is N-[2-[4-(4-methoxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3cnccn3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The InChIKey is UPKZDOWFHUACHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3S/c1-3-4-5-6-20-7-13-23(14-8-20)36(33,34)30-16-15-24-26(21-9-11-22(35-2)12-10-21)32-27(31-24)25-19-28-17-18-29-25/h7-14,17-19,30H,3-6,15-16H2,1-2H3,(H,31,32).
What are the key properties of N-[2-[4-(4-methoxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
N-[2-[4-(4-methoxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide has a molecular weight of 505.64 g/mol, XLogP of 4.80, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 24825359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).