1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole

C28H30N2O2 — CID 10202731

IUPAC1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole
SMILESCOc1ccc(COCCCCCn2cnc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H30N2O2/c1-31-26-17-15-23(16-18-26)21-32-20-10-4-9-19-30-22-29-27(24-11-5-2-6-12-24)28(30)25-13-7-3-8-14-25/h2-3,5-8,11-18,22H,4,9-10,19-21H2,1H3
InChIKeyDMNDJSPJEQLVOI-UHFFFAOYSA-N
MW426.56 g/mol
LogP6.61
Rot. Bonds11

About 1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole

1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole (PubChem CID 10202731) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole.

Molecular Properties

Compound Name1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole
PubChem CID10202731
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole
SMILESCOc1ccc(COCCCCCn2cnc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H30N2O2/c1-31-26-17-15-23(16-18-26)21-32-20-10-4-9-19-30-22-29-27(24-11-5-2-6-12-24)28(30)25-13-7-3-8-14-25/h2-3,5-8,11-18,22H,4,9-10,19-21H2,1H3
InChIKeyDMNDJSPJEQLVOI-UHFFFAOYSA-N
XLogP6.61
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole
CID 10186869
1-[3-[(3-methoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole
CID 10179002
1-[3-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole
CID 10229029
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole
CID 10133391
4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol
CID 10592065
6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide
CID 10602993
4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol
CID 50978507
4,5-diphenyl-1-propylimidazole
CID 14950648
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
1-methoxy-4-(10-trityloxydecoxymethyl)benzene
CID 11284058
2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide
CID 50984888

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole?
The IUPAC name of 1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole (CID 10202731) is 1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole.
What is the SMILES notation for 1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole?
The canonical SMILES for 1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole is COc1ccc(COCCCCCn2cnc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole?
The InChIKey is DMNDJSPJEQLVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-31-26-17-15-23(16-18-26)21-32-20-10-4-9-19-30-22-29-27(24-11-5-2-6-12-24)28(30)25-13-7-3-8-14-25/h2-3,5-8,11-18,22H,4,9-10,19-21H2,1H3.
What are the key properties of 1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole?
1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole has a molecular weight of 426.56 g/mol, XLogP of 6.61, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole is sourced from PubChem (CID 10202731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).