2-(4,5-dihydro-1H-imidazol-2-yl)-5-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyphenoxy]pentoxy]phenol;dihydrochloride

C23H30Cl2N4O4 — CID 136609892

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-5-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyphenoxy]pentoxy]phenol;dihydrochloride
SMILESCl.Cl.Oc1cc(OCCCCCOc2ccc(C3=NCCN3)c(O)c2)ccc1C1=NCCN1
InChIInChI=1S/C23H28N4O4.2ClH/c28-20-14-16(4-6-18(20)22-24-8-9-25-22)30-12-2-1-3-13-31-17-5-7-19(21(29)15-17)23-26-10-11-27-23;;/h4-7,14-15,28-29H,1-3,8-13H2,(H,24,25)(H,26,27);2*1H
InChIKeyACCZECUIFKDLFM-UHFFFAOYSA-N
MW497.42 g/mol
LogP3.27
Rot. Bonds10

About 2-(4,5-dihydro-1H-imidazol-2-yl)-5-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyphenoxy]pentoxy]phenol;dihydrochloride

2-(4,5-dihydro-1H-imidazol-2-yl)-5-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyphenoxy]pentoxy]phenol;dihydrochloride (PubChem CID 136609892) has the molecular formula C23H30Cl2N4O4 and a molecular weight of 497.42 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-5-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyphenoxy]pentoxy]phenol;dihydrochloride.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-5-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyphenoxy]pentoxy]phenol;dihydrochloride
PubChem CID136609892
Molecular FormulaC23H30Cl2N4O4
Molecular Weight497.42 g/mol
Exact Mass496.16
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-5-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyphenoxy]pentoxy]phenol;dihydrochloride
SMILESCl.Cl.Oc1cc(OCCCCCOc2ccc(C3=NCCN3)c(O)c2)ccc1C1=NCCN1
InChIInChI=1S/C23H28N4O4.2ClH/c28-20-14-16(4-6-18(20)22-24-8-9-25-22)30-12-2-1-3-13-31-17-5-7-19(21(29)15-17)23-26-10-11-27-23;;/h4-7,14-15,28-29H,1-3,8-13H2,(H,24,25)(H,26,27);2*1H
InChIKeyACCZECUIFKDLFM-UHFFFAOYSA-N
XLogP3.27
TPSA107.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.42
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyphenoxy]pentoxy]phenol;dihydrochloride?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyphenoxy]pentoxy]phenol;dihydrochloride (CID 136609892) is 2-(4,5-dihydro-1H-imidazol-2-yl)-5-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyphenoxy]pentoxy]phenol;dihydrochloride.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-5-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyphenoxy]pentoxy]phenol;dihydrochloride?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-5-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyphenoxy]pentoxy]phenol;dihydrochloride is Cl.Cl.Oc1cc(OCCCCCOc2ccc(C3=NCCN3)c(O)c2)ccc1C1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyphenoxy]pentoxy]phenol;dihydrochloride?
The InChIKey is ACCZECUIFKDLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4.2ClH/c28-20-14-16(4-6-18(20)22-24-8-9-25-22)30-12-2-1-3-13-31-17-5-7-19(21(29)15-17)23-26-10-11-27-23;;/h4-7,14-15,28-29H,1-3,8-13H2,(H,24,25)(H,26,27);2*1H.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyphenoxy]pentoxy]phenol;dihydrochloride?
2-(4,5-dihydro-1H-imidazol-2-yl)-5-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyphenoxy]pentoxy]phenol;dihydrochloride has a molecular weight of 497.42 g/mol, XLogP of 3.27, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-5-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyphenoxy]pentoxy]phenol;dihydrochloride is sourced from PubChem (CID 136609892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).