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

C30H36Cl2N4O4 — CID 162335122

IUPAC2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
SMILESCl.Cl.c1cc(COCCOc2ccc(C3=NCCN3)cc2)cc(COCCOc2ccc(C3=NCCN3)cc2)c1
InChIInChI=1S/C30H34N4O4.2ClH/c1-2-23(21-35-16-18-37-27-8-4-25(5-9-27)29-31-12-13-32-29)20-24(3-1)22-36-17-19-38-28-10-6-26(7-11-28)30-33-14-15-34-30;;/h1-11,20H,12-19,21-22H2,(H,31,32)(H,33,34);2*1H
InChIKeyVLPPGCJPFXYQDZ-UHFFFAOYSA-N
MW587.55 g/mol
LogP4.42
Rot. Bonds14

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

2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride (PubChem CID 162335122) has the molecular formula C30H36Cl2N4O4 and a molecular weight of 587.55 g/mol. Its IUPAC name is 2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride.

Molecular Properties

Compound Name2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
PubChem CID162335122
Molecular FormulaC30H36Cl2N4O4
Molecular Weight587.55 g/mol
Exact Mass586.21
IUPAC Name2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
SMILESCl.Cl.c1cc(COCCOc2ccc(C3=NCCN3)cc2)cc(COCCOc2ccc(C3=NCCN3)cc2)c1
InChIInChI=1S/C30H34N4O4.2ClH/c1-2-23(21-35-16-18-37-27-8-4-25(5-9-27)29-31-12-13-32-29)20-24(3-1)22-36-17-19-38-28-10-6-26(7-11-28)30-33-14-15-34-30;;/h1-11,20H,12-19,21-22H2,(H,31,32)(H,33,34);2*1H
InChIKeyVLPPGCJPFXYQDZ-UHFFFAOYSA-N
XLogP4.42
TPSA85.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.55
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride with MolForge

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Related Compounds

2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82249999
2-[4-(2-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82242139
2,6-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine;dihydrochloride
CID 70695580
2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82251895
3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine
CID 82245169
2-[4-[(4-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240381
2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110540504
2-[4-(2-phenylethoxy)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82249038
2-[4-[(4-methoxyphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82249355
2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240383
2-[4-[5-[4-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)phenoxy]pentoxy]phenyl]-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 127041641
2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 141119932

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The IUPAC name of 2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride (CID 162335122) is 2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride.
What is the SMILES notation for 2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The canonical SMILES for 2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride is Cl.Cl.c1cc(COCCOc2ccc(C3=NCCN3)cc2)cc(COCCOc2ccc(C3=NCCN3)cc2)c1.
What is the InChIKey of 2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The InChIKey is VLPPGCJPFXYQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4.2ClH/c1-2-23(21-35-16-18-37-27-8-4-25(5-9-27)29-31-12-13-32-29)20-24(3-1)22-36-17-19-38-28-10-6-26(7-11-28)30-33-14-15-34-30;;/h1-11,20H,12-19,21-22H2,(H,31,32)(H,33,34);2*1H.
What are the key properties of 2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride has a molecular weight of 587.55 g/mol, XLogP of 4.42, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride is sourced from PubChem (CID 162335122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).