4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol

C22H28N4O2 — CID 139918365

IUPAC4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol
SMILESOc1ccc(CN2CCN(CCOCCn3cnc4ccccc43)CC2)cc1
InChIInChI=1S/C22H28N4O2/c27-20-7-5-19(6-8-20)17-25-11-9-24(10-12-25)13-15-28-16-14-26-18-23-21-3-1-2-4-22(21)26/h1-8,18,27H,9-17H2
InChIKeyIKLDDGKDPVUQIK-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.58
Rot. Bonds8

About 4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol

4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol (PubChem CID 139918365) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol
PubChem CID139918365
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol
SMILESOc1ccc(CN2CCN(CCOCCn3cnc4ccccc43)CC2)cc1
InChIInChI=1S/C22H28N4O2/c27-20-7-5-19(6-8-20)17-25-11-9-24(10-12-25)13-15-28-16-14-26-18-23-21-3-1-2-4-22(21)26/h1-8,18,27H,9-17H2
InChIKeyIKLDDGKDPVUQIK-UHFFFAOYSA-N
XLogP2.58
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole
CID 139918381
1-[2-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethoxy]ethyl]benzimidazole
CID 139918390
1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole
CID 57328320
1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole
CID 140992644
2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate
CID 58743695
4-[[3-[2-(benzimidazol-1-yl)ethoxy]-4-methoxyphenyl]methyl]morpholine;formic acid
CID 172896679
1-[2-(4-chlorophenoxy)ethyl]benzimidazole
CID 803004
methyl 4-[[4-(benzimidazol-1-ylmethyl)piperidin-1-yl]methyl]benzoate;oxalic acid
CID 71780888
1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid
CID 44828390

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol?
The IUPAC name of 4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol (CID 139918365) is 4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol is Oc1ccc(CN2CCN(CCOCCn3cnc4ccccc43)CC2)cc1.
What is the InChIKey of 4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol?
The InChIKey is IKLDDGKDPVUQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-20-7-5-19(6-8-20)17-25-11-9-24(10-12-25)13-15-28-16-14-26-18-23-21-3-1-2-4-22(21)26/h1-8,18,27H,9-17H2.
What are the key properties of 4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol?
4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol has a molecular weight of 380.49 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 139918365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).