2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pentoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride

C23H29ClN4O2 — CID 44573519

IUPAC2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pentoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1cc(C2=NCCN2)ccc1OCCCCCOc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C23H28N4O2.ClH/c1(2-16-28-20-8-4-18(5-9-20)22-24-12-13-25-22)3-17-29-21-10-6-19(7-11-21)23-26-14-15-27-23;/h4-11H,1-3,12-17H2,(H,24,25)(H,26,27);1H
InChIKeyLEXCIOGJKAFPPP-UHFFFAOYSA-N
MW428.96 g/mol
LogP3.44
Rot. Bonds10

About 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pentoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride

2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pentoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 44573519) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pentoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pentoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID44573519
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Name2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pentoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1cc(C2=NCCN2)ccc1OCCCCCOc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C23H28N4O2.ClH/c1(2-16-28-20-8-4-18(5-9-20)22-24-12-13-25-22)3-17-29-21-10-6-19(7-11-21)23-26-14-15-27-23;/h4-11H,1-3,12-17H2,(H,24,25)(H,26,27);1H
InChIKeyLEXCIOGJKAFPPP-UHFFFAOYSA-N
XLogP3.44
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.44
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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Related Compounds

2-(4-methoxyphenyl)-4,5-dihydro-1H-imidazole
CID 237746
1,3-Di(4-imidazolinophenoxyl)propane
CID 122669
1,3-Bis[(4-imidazolinophenoxy)methyl]benzene
CID 9870550
2,2'-[1,4-Phenylenebis(methyleneoxy-4,1-phenylene)]di(4,5-dihydro-1H-imidazole)
CID 10224330
Pentamidine hydrochloride
CID 12314068
2-(4-phenoxyphenyl)-4,5-dihydro-1H-imidazole
CID 17774026
(4R,5S)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1H-imidazole
CID 5147150
2,2'-[pentane-1,5-Diylbis(Oxybenzene-4,1-Diyl)]di-1,4,5,6-Tetrahydropyrimidine
CID 89496009
2-[3-[[2-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 44225924
2-[4-[[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 44226132
2-[3-[[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 44226135
2-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 44269074

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pentoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pentoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride (CID 44573519) is 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pentoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pentoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pentoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride is Cl.c1cc(C2=NCCN2)ccc1OCCCCCOc1ccc(C2=NCCN2)cc1.
What is the InChIKey of 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pentoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is LEXCIOGJKAFPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.ClH/c1(2-16-28-20-8-4-18(5-9-20)22-24-12-13-25-22)3-17-29-21-10-6-19(7-11-21)23-26-14-15-27-23;/h4-11H,1-3,12-17H2,(H,24,25)(H,26,27);1H.
What are the key properties of 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pentoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pentoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 428.96 g/mol, XLogP of 3.44, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pentoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 44573519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).