1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole

C22H28N4O2 — CID 139918381

IUPAC1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole
SMILESCOc1ccccc1N1CCN(CCOCCn2cnc3ccccc32)CC1
InChIInChI=1S/C22H28N4O2/c1-27-22-9-5-4-8-21(22)25-12-10-24(11-13-25)14-16-28-17-15-26-18-23-19-6-2-3-7-20(19)26/h2-9,18H,10-17H2,1H3
InChIKeyYUJCGRXVYRVCNN-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.88
Rot. Bonds8

About 1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole

1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole (PubChem CID 139918381) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole
PubChem CID139918381
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole
SMILESCOc1ccccc1N1CCN(CCOCCn2cnc3ccccc32)CC1
InChIInChI=1S/C22H28N4O2/c1-27-22-9-5-4-8-21(22)25-12-10-24(11-13-25)14-16-28-17-15-26-18-23-19-6-2-3-7-20(19)26/h2-9,18H,10-17H2,1H3
InChIKeyYUJCGRXVYRVCNN-UHFFFAOYSA-N
XLogP2.88
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.88
H-Bond Donors ≤ 50
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
1-[2-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethoxy]ethyl]benzimidazole
CID 139918390
4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol
CID 139918365
1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine
CID 134154491
1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride
CID 134154490
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-phenylquinazoline
CID 11123072
1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 16994969
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine
CID 10109444
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfanyl]-1-methylbenzimidazole
CID 24949695
1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine
CID 172860872

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole?
The IUPAC name of 1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole (CID 139918381) is 1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole.
What is the SMILES notation for 1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole?
The canonical SMILES for 1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole is COc1ccccc1N1CCN(CCOCCn2cnc3ccccc32)CC1.
What is the InChIKey of 1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole?
The InChIKey is YUJCGRXVYRVCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-27-22-9-5-4-8-21(22)25-12-10-24(11-13-25)14-16-28-17-15-26-18-23-19-6-2-3-7-20(19)26/h2-9,18H,10-17H2,1H3.
What are the key properties of 1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole?
1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole has a molecular weight of 380.49 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole is sourced from PubChem (CID 139918381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).