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

C23H30Cl2N4O4 — CID 90664413

IUPAC2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
SMILESCOc1cc(C2=NCCN2)ccc1OCCCOc1ccc(C2=NCCN2)cc1OC.Cl.Cl
InChIInChI=1S/C23H28N4O4.2ClH/c1-28-20-14-16(22-24-8-9-25-22)4-6-18(20)30-12-3-13-31-19-7-5-17(15-21(19)29-2)23-26-10-11-27-23;;/h4-7,14-15H,3,8-13H2,1-2H3,(H,24,25)(H,26,27);2*1H
InChIKeyUSBXSELZJGRJQN-UHFFFAOYSA-N
MW497.42 g/mol
LogP3.09
Rot. Bonds10

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

2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride (PubChem CID 90664413) has the molecular formula C23H30Cl2N4O4 and a molecular weight of 497.42 g/mol. Its IUPAC name is 2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride.

Molecular Properties

Compound Name2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
PubChem CID90664413
Molecular FormulaC23H30Cl2N4O4
Molecular Weight497.42 g/mol
Exact Mass496.16
IUPAC Name2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
SMILESCOc1cc(C2=NCCN2)ccc1OCCCOc1ccc(C2=NCCN2)cc1OC.Cl.Cl
InChIInChI=1S/C23H28N4O4.2ClH/c1-28-20-14-16(22-24-8-9-25-22)4-6-18(20)30-12-3-13-31-19-7-5-17(15-21(19)29-2)23-26-10-11-27-23;;/h4-7,14-15H,3,8-13H2,1-2H3,(H,24,25)(H,26,27);2*1H
InChIKeyUSBXSELZJGRJQN-UHFFFAOYSA-N
XLogP3.09
TPSA85.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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CID 23655736

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The IUPAC name of 2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride (CID 90664413) is 2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride.
What is the SMILES notation for 2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The canonical SMILES for 2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride is COc1cc(C2=NCCN2)ccc1OCCCOc1ccc(C2=NCCN2)cc1OC.Cl.Cl.
What is the InChIKey of 2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The InChIKey is USBXSELZJGRJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4.2ClH/c1-28-20-14-16(22-24-8-9-25-22)4-6-18(20)30-12-3-13-31-19-7-5-17(15-21(19)29-2)23-26-10-11-27-23;;/h4-7,14-15H,3,8-13H2,1-2H3,(H,24,25)(H,26,27);2*1H.
What are the key properties of 2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride has a molecular weight of 497.42 g/mol, XLogP of 3.09, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride is sourced from PubChem (CID 90664413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).