1-[5-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole

C35H36N2O3 — CID 10186869

IUPAC1-[5-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole
SMILESCOc1cc(COCCCCCn2cnc(-c3ccccc3)c2-c2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C35H36N2O3/c1-38-33-24-29(20-21-32(33)40-26-28-14-6-2-7-15-28)25-39-23-13-5-12-22-37-27-36-34(30-16-8-3-9-17-30)35(37)31-18-10-4-11-19-31/h2-4,6-11,14-21,24,27H,5,12-13,22-23,25-26H2,1H3
InChIKeyBUACJEDAVISKSF-UHFFFAOYSA-N
MW532.68 g/mol
LogP8.19
Rot. Bonds14

About 1-[5-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole

1-[5-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole (PubChem CID 10186869) has the molecular formula C35H36N2O3 and a molecular weight of 532.68 g/mol. Its IUPAC name is 1-[5-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole.

Molecular Properties

Compound Name1-[5-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole
PubChem CID10186869
Molecular FormulaC35H36N2O3
Molecular Weight532.68 g/mol
Exact Mass532.27
IUPAC Name1-[5-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole
SMILESCOc1cc(COCCCCCn2cnc(-c3ccccc3)c2-c2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C35H36N2O3/c1-38-33-24-29(20-21-32(33)40-26-28-14-6-2-7-15-28)25-39-23-13-5-12-22-37-27-36-34(30-16-8-3-9-17-30)35(37)31-18-10-4-11-19-31/h2-4,6-11,14-21,24,27H,5,12-13,22-23,25-26H2,1H3
InChIKeyBUACJEDAVISKSF-UHFFFAOYSA-N
XLogP8.19
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.68
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole
CID 10229029
1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole
CID 10202731
1-[3-[(3-methoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole
CID 10179002
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one
CID 10179650
2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135473929
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969223
4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole?
The IUPAC name of 1-[5-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole (CID 10186869) is 1-[5-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole.
What is the SMILES notation for 1-[5-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole?
The canonical SMILES for 1-[5-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole is COc1cc(COCCCCCn2cnc(-c3ccccc3)c2-c2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of 1-[5-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole?
The InChIKey is BUACJEDAVISKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N2O3/c1-38-33-24-29(20-21-32(33)40-26-28-14-6-2-7-15-28)25-39-23-13-5-12-22-37-27-36-34(30-16-8-3-9-17-30)35(37)31-18-10-4-11-19-31/h2-4,6-11,14-21,24,27H,5,12-13,22-23,25-26H2,1H3.
What are the key properties of 1-[5-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole?
1-[5-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole has a molecular weight of 532.68 g/mol, XLogP of 8.19, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole is sourced from PubChem (CID 10186869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).