4-[3-(1-phenylbenzimidazol-5-yl)oxypropyl]morpholine

C20H23N3O2 — CID 5328510

IUPAC4-[3-(1-phenylbenzimidazol-5-yl)oxypropyl]morpholine
SMILESc1ccc(-n2cnc3cc(OCCCN4CCOCC4)ccc32)cc1
InChIInChI=1S/C20H23N3O2/c1-2-5-17(6-3-1)23-16-21-19-15-18(7-8-20(19)23)25-12-4-9-22-10-13-24-14-11-22/h1-3,5-8,15-16H,4,9-14H2
InChIKeyQPLWWFCARNPZGZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.13
Rot. Bonds6

About 4-[3-(1-phenylbenzimidazol-5-yl)oxypropyl]morpholine

4-[3-(1-phenylbenzimidazol-5-yl)oxypropyl]morpholine (PubChem CID 5328510) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[3-(1-phenylbenzimidazol-5-yl)oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-(1-phenylbenzimidazol-5-yl)oxypropyl]morpholine
PubChem CID5328510
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-[3-(1-phenylbenzimidazol-5-yl)oxypropyl]morpholine
SMILESc1ccc(-n2cnc3cc(OCCCN4CCOCC4)ccc32)cc1
InChIInChI=1S/C20H23N3O2/c1-2-5-17(6-3-1)23-16-21-19-15-18(7-8-20(19)23)25-12-4-9-22-10-13-24-14-11-22/h1-3,5-8,15-16H,4,9-14H2
InChIKeyQPLWWFCARNPZGZ-UHFFFAOYSA-N
XLogP3.13
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.13
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-[3-(1-phenylbenzimidazol-5-yl)oxypropyl]morpholine?
The IUPAC name of 4-[3-(1-phenylbenzimidazol-5-yl)oxypropyl]morpholine (CID 5328510) is 4-[3-(1-phenylbenzimidazol-5-yl)oxypropyl]morpholine.
What is the SMILES notation for 4-[3-(1-phenylbenzimidazol-5-yl)oxypropyl]morpholine?
The canonical SMILES for 4-[3-(1-phenylbenzimidazol-5-yl)oxypropyl]morpholine is c1ccc(-n2cnc3cc(OCCCN4CCOCC4)ccc32)cc1.
What is the InChIKey of 4-[3-(1-phenylbenzimidazol-5-yl)oxypropyl]morpholine?
The InChIKey is QPLWWFCARNPZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-5-17(6-3-1)23-16-21-19-15-18(7-8-20(19)23)25-12-4-9-22-10-13-24-14-11-22/h1-3,5-8,15-16H,4,9-14H2.
What are the key properties of 4-[3-(1-phenylbenzimidazol-5-yl)oxypropyl]morpholine?
4-[3-(1-phenylbenzimidazol-5-yl)oxypropyl]morpholine has a molecular weight of 337.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-phenylbenzimidazol-5-yl)oxypropyl]morpholine is sourced from PubChem (CID 5328510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).