5-[1-[5-[3-[1-(1H-imidazol-5-yl)propyl]-4-methoxyphenoxy]-2-methoxyphenyl]propyl]-1H-imidazole

C26H30N4O3 — CID 69023714

IUPAC5-[1-[5-[3-[1-(1H-imidazol-5-yl)propyl]-4-methoxyphenoxy]-2-methoxyphenyl]propyl]-1H-imidazole
SMILESCCC(c1cnc[nH]1)c1cc(Oc2ccc(OC)c(C(CC)c3cnc[nH]3)c2)ccc1OC
InChIInChI=1S/C26H30N4O3/c1-5-19(23-13-27-15-29-23)21-11-17(7-9-25(21)31-3)33-18-8-10-26(32-4)22(12-18)20(6-2)24-14-28-16-30-24/h7-16,19-20H,5-6H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyWAIBAWZZYNXFIK-UHFFFAOYSA-N
MW446.55 g/mol
LogP6.03
Rot. Bonds10

About 5-[1-[5-[3-[1-(1H-imidazol-5-yl)propyl]-4-methoxyphenoxy]-2-methoxyphenyl]propyl]-1H-imidazole

5-[1-[5-[3-[1-(1H-imidazol-5-yl)propyl]-4-methoxyphenoxy]-2-methoxyphenyl]propyl]-1H-imidazole (PubChem CID 69023714) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 5-[1-[5-[3-[1-(1H-imidazol-5-yl)propyl]-4-methoxyphenoxy]-2-methoxyphenyl]propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[1-[5-[3-[1-(1H-imidazol-5-yl)propyl]-4-methoxyphenoxy]-2-methoxyphenyl]propyl]-1H-imidazole
PubChem CID69023714
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name5-[1-[5-[3-[1-(1H-imidazol-5-yl)propyl]-4-methoxyphenoxy]-2-methoxyphenyl]propyl]-1H-imidazole
SMILESCCC(c1cnc[nH]1)c1cc(Oc2ccc(OC)c(C(CC)c3cnc[nH]3)c2)ccc1OC
InChIInChI=1S/C26H30N4O3/c1-5-19(23-13-27-15-29-23)21-11-17(7-9-25(21)31-3)33-18-8-10-26(32-4)22(12-18)20(6-2)24-14-28-16-30-24/h7-16,19-20H,5-6H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyWAIBAWZZYNXFIK-UHFFFAOYSA-N
XLogP6.03
TPSA85.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[1-[5-[3-[1-(1H-imidazol-5-yl)propyl]-4-methoxyphenoxy]-2-methoxyphenyl]propyl]-1H-imidazole with MolForge

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Related Compounds

5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole
CID 91318795
5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole
CID 82078805
N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 115827374
1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 82066787
2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene
CID 61084489
1-(5-ethoxy-2-methoxyphenyl)propan-1-ol
CID 82265613
2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene
CID 63429238
1-(2,5-dimethoxyphenyl)butane-1,2-diol
CID 103454612
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole
CID 95225445
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 55109973

Frequently Asked Questions

What is the IUPAC name of 5-[1-[5-[3-[1-(1H-imidazol-5-yl)propyl]-4-methoxyphenoxy]-2-methoxyphenyl]propyl]-1H-imidazole?
The IUPAC name of 5-[1-[5-[3-[1-(1H-imidazol-5-yl)propyl]-4-methoxyphenoxy]-2-methoxyphenyl]propyl]-1H-imidazole (CID 69023714) is 5-[1-[5-[3-[1-(1H-imidazol-5-yl)propyl]-4-methoxyphenoxy]-2-methoxyphenyl]propyl]-1H-imidazole.
What is the SMILES notation for 5-[1-[5-[3-[1-(1H-imidazol-5-yl)propyl]-4-methoxyphenoxy]-2-methoxyphenyl]propyl]-1H-imidazole?
The canonical SMILES for 5-[1-[5-[3-[1-(1H-imidazol-5-yl)propyl]-4-methoxyphenoxy]-2-methoxyphenyl]propyl]-1H-imidazole is CCC(c1cnc[nH]1)c1cc(Oc2ccc(OC)c(C(CC)c3cnc[nH]3)c2)ccc1OC.
What is the InChIKey of 5-[1-[5-[3-[1-(1H-imidazol-5-yl)propyl]-4-methoxyphenoxy]-2-methoxyphenyl]propyl]-1H-imidazole?
The InChIKey is WAIBAWZZYNXFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-5-19(23-13-27-15-29-23)21-11-17(7-9-25(21)31-3)33-18-8-10-26(32-4)22(12-18)20(6-2)24-14-28-16-30-24/h7-16,19-20H,5-6H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of 5-[1-[5-[3-[1-(1H-imidazol-5-yl)propyl]-4-methoxyphenoxy]-2-methoxyphenyl]propyl]-1H-imidazole?
5-[1-[5-[3-[1-(1H-imidazol-5-yl)propyl]-4-methoxyphenoxy]-2-methoxyphenyl]propyl]-1H-imidazole has a molecular weight of 446.55 g/mol, XLogP of 6.03, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[5-[3-[1-(1H-imidazol-5-yl)propyl]-4-methoxyphenoxy]-2-methoxyphenyl]propyl]-1H-imidazole is sourced from PubChem (CID 69023714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).