2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride

C24H32Cl2N4O4 — CID 90664911

About 2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride

2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride (PubChem CID 90664911) has the molecular formula C24H32Cl2N4O4 and a molecular weight of 511.45 g/mol. Its IUPAC name is 2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride.

Molecular Properties

• Compound Name: 2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
• PubChem CID: 90664911
• Molecular Formula: C24H32Cl2N4O4
• Molecular Weight: 511.45 g/mol
• Exact Mass: 510.18
• IUPAC Name: 2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
• SMILES: COc1cc(C2=NCCN2)ccc1OCCCCOc1ccc(C2=NCCN2)cc1OC.Cl.Cl
• InChI: InChI=1S/C24H30N4O4.2ClH/c1-29-21-15-17(23-25-9-10-26-23)5-7-19(21)31-13-3-4-14-32-20-8-6-18(16-22(20)30-2)24-27-11-12-28-24;;/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,25,26)(H,27,28);2*1H
• InChIKey: QBYWFDUOIVOTEW-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 85.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.45
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?

The IUPAC name of 2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride (CID 90664911) is 2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride.

What is the SMILES notation for 2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?

The canonical SMILES for 2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride is COc1cc(C2=NCCN2)ccc1OCCCCOc1ccc(C2=NCCN2)cc1OC.Cl.Cl.

What is the InChIKey of 2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?

The InChIKey is QBYWFDUOIVOTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4.2ClH/c1-29-21-15-17(23-25-9-10-26-23)5-7-19(21)31-13-3-4-14-32-20-8-6-18(16-22(20)30-2)24-27-11-12-28-24;;/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,25,26)(H,27,28);2*1H.

What are the key properties of 2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?

2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride has a molecular weight of 511.45 g/mol, XLogP of 3.48, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride is sourced from PubChem (CID 90664911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).