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

C21H26Cl2N4O2 — CID 90664783

IUPAC2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
SMILESCl.Cl.c1cc(C2=NCCN2)ccc1OCCCOc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C21H24N4O2.2ClH/c1(14-26-18-6-2-16(3-7-18)20-22-10-11-23-20)15-27-19-8-4-17(5-9-19)21-24-12-13-25-21;;/h2-9H,1,10-15H2,(H,22,23)(H,24,25);2*1H
InChIKeyUMTKRAJMSAKEEP-UHFFFAOYSA-N
MW437.37 g/mol
LogP3.08
Rot. Bonds8

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

2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride (PubChem CID 90664783) has the molecular formula C21H26Cl2N4O2 and a molecular weight of 437.37 g/mol. Its IUPAC name is 2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride.

Molecular Properties

Compound Name2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
PubChem CID90664783
Molecular FormulaC21H26Cl2N4O2
Molecular Weight437.37 g/mol
Exact Mass436.14
IUPAC Name2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
SMILESCl.Cl.c1cc(C2=NCCN2)ccc1OCCCOc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C21H24N4O2.2ClH/c1(14-26-18-6-2-16(3-7-18)20-22-10-11-23-20)15-27-19-8-4-17(5-9-19)21-24-12-13-25-21;;/h2-9H,1,10-15H2,(H,22,23)(H,24,25);2*1H
InChIKeyUMTKRAJMSAKEEP-UHFFFAOYSA-N
XLogP3.08
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The IUPAC name of 2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride (CID 90664783) is 2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride.
What is the SMILES notation for 2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The canonical SMILES for 2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride is Cl.Cl.c1cc(C2=NCCN2)ccc1OCCCOc1ccc(C2=NCCN2)cc1.
What is the InChIKey of 2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The InChIKey is UMTKRAJMSAKEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2.2ClH/c1(14-26-18-6-2-16(3-7-18)20-22-10-11-23-20)15-27-19-8-4-17(5-9-19)21-24-12-13-25-21;;/h2-9H,1,10-15H2,(H,22,23)(H,24,25);2*1H.
What are the key properties of 2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride has a molecular weight of 437.37 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride is sourced from PubChem (CID 90664783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).