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

C23H29N3O2 — CID 139918390

IUPAC1-[2-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethoxy]ethyl]benzimidazole
SMILESCOc1ccc(C2CCN(CCOCCn3cnc4ccccc43)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-27-21-8-6-19(7-9-21)20-10-12-25(13-11-20)14-16-28-17-15-26-18-24-22-4-2-3-5-23(22)26/h2-9,18,20H,10-17H2,1H3
InChIKeyZFGHCXSQZOCZTG-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.94
Rot. Bonds8

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

1-[2-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethoxy]ethyl]benzimidazole (PubChem CID 139918390) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[2-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethoxy]ethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethoxy]ethyl]benzimidazole
PubChem CID139918390
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-[2-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethoxy]ethyl]benzimidazole
SMILESCOc1ccc(C2CCN(CCOCCn3cnc4ccccc43)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-27-21-8-6-19(7-9-21)20-10-12-25(13-11-20)14-16-28-17-15-26-18-24-22-4-2-3-5-23(22)26/h2-9,18,20H,10-17H2,1H3
InChIKeyZFGHCXSQZOCZTG-UHFFFAOYSA-N
XLogP3.94
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole
CID 139918381
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
1-[2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]benzimidazole
CID 135098174
4-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]pyridine
CID 50950194
4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol
CID 139918365
3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine
CID 94689546
1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole
CID 118386910
2-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 25009298
2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate
CID 58743695
5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile
CID 71985476
1-[2-(4-chlorophenoxy)ethyl]benzimidazole
CID 803004

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethoxy]ethyl]benzimidazole?
The IUPAC name of 1-[2-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethoxy]ethyl]benzimidazole (CID 139918390) is 1-[2-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethoxy]ethyl]benzimidazole.
What is the SMILES notation for 1-[2-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethoxy]ethyl]benzimidazole?
The canonical SMILES for 1-[2-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethoxy]ethyl]benzimidazole is COc1ccc(C2CCN(CCOCCn3cnc4ccccc43)CC2)cc1.
What is the InChIKey of 1-[2-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethoxy]ethyl]benzimidazole?
The InChIKey is ZFGHCXSQZOCZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-27-21-8-6-19(7-9-21)20-10-12-25(13-11-20)14-16-28-17-15-26-18-24-22-4-2-3-5-23(22)26/h2-9,18,20H,10-17H2,1H3.
What are the key properties of 1-[2-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethoxy]ethyl]benzimidazole?
1-[2-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethoxy]ethyl]benzimidazole has a molecular weight of 379.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethoxy]ethyl]benzimidazole is sourced from PubChem (CID 139918390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).