4-[4-(1-phenylbenzimidazol-5-yl)oxybutyl]morpholine

C21H25N3O2 — CID 5328511

IUPAC4-[4-(1-phenylbenzimidazol-5-yl)oxybutyl]morpholine
SMILESc1ccc(-n2cnc3cc(OCCCCN4CCOCC4)ccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-2-6-18(7-3-1)24-17-22-20-16-19(8-9-21(20)24)26-13-5-4-10-23-11-14-25-15-12-23/h1-3,6-9,16-17H,4-5,10-15H2
InChIKeyMMCPIFMHHYLZBY-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.52
Rot. Bonds7

About 4-[4-(1-phenylbenzimidazol-5-yl)oxybutyl]morpholine

4-[4-(1-phenylbenzimidazol-5-yl)oxybutyl]morpholine (PubChem CID 5328511) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[4-(1-phenylbenzimidazol-5-yl)oxybutyl]morpholine.

Molecular Properties

Compound Name4-[4-(1-phenylbenzimidazol-5-yl)oxybutyl]morpholine
PubChem CID5328511
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-[4-(1-phenylbenzimidazol-5-yl)oxybutyl]morpholine
SMILESc1ccc(-n2cnc3cc(OCCCCN4CCOCC4)ccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-2-6-18(7-3-1)24-17-22-20-16-19(8-9-21(20)24)26-13-5-4-10-23-11-14-25-15-12-23/h1-3,6-9,16-17H,4-5,10-15H2
InChIKeyMMCPIFMHHYLZBY-UHFFFAOYSA-N
XLogP3.52
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-phenylbenzimidazol-5-yl)oxybutyl]morpholine?
The IUPAC name of 4-[4-(1-phenylbenzimidazol-5-yl)oxybutyl]morpholine (CID 5328511) is 4-[4-(1-phenylbenzimidazol-5-yl)oxybutyl]morpholine.
What is the SMILES notation for 4-[4-(1-phenylbenzimidazol-5-yl)oxybutyl]morpholine?
The canonical SMILES for 4-[4-(1-phenylbenzimidazol-5-yl)oxybutyl]morpholine is c1ccc(-n2cnc3cc(OCCCCN4CCOCC4)ccc32)cc1.
What is the InChIKey of 4-[4-(1-phenylbenzimidazol-5-yl)oxybutyl]morpholine?
The InChIKey is MMCPIFMHHYLZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-6-18(7-3-1)24-17-22-20-16-19(8-9-21(20)24)26-13-5-4-10-23-11-14-25-15-12-23/h1-3,6-9,16-17H,4-5,10-15H2.
What are the key properties of 4-[4-(1-phenylbenzimidazol-5-yl)oxybutyl]morpholine?
4-[4-(1-phenylbenzimidazol-5-yl)oxybutyl]morpholine has a molecular weight of 351.45 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-phenylbenzimidazol-5-yl)oxybutyl]morpholine is sourced from PubChem (CID 5328511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).