4-[2-(1-phenylbenzimidazol-5-yl)oxyethyl]morpholine

C19H21N3O2 — CID 5328509

IUPAC4-[2-(1-phenylbenzimidazol-5-yl)oxyethyl]morpholine
SMILESc1ccc(-n2cnc3cc(OCCN4CCOCC4)ccc32)cc1
InChIInChI=1S/C19H21N3O2/c1-2-4-16(5-3-1)22-15-20-18-14-17(6-7-19(18)22)24-13-10-21-8-11-23-12-9-21/h1-7,14-15H,8-13H2
InChIKeyMGIAPSWVYILGFG-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.74
Rot. Bonds5

About 4-[2-(1-phenylbenzimidazol-5-yl)oxyethyl]morpholine

4-[2-(1-phenylbenzimidazol-5-yl)oxyethyl]morpholine (PubChem CID 5328509) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[2-(1-phenylbenzimidazol-5-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-(1-phenylbenzimidazol-5-yl)oxyethyl]morpholine
PubChem CID5328509
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-[2-(1-phenylbenzimidazol-5-yl)oxyethyl]morpholine
SMILESc1ccc(-n2cnc3cc(OCCN4CCOCC4)ccc32)cc1
InChIInChI=1S/C19H21N3O2/c1-2-4-16(5-3-1)22-15-20-18-14-17(6-7-19(18)22)24-13-10-21-8-11-23-12-9-21/h1-7,14-15H,8-13H2
InChIKeyMGIAPSWVYILGFG-UHFFFAOYSA-N
XLogP2.74
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-phenylbenzimidazol-5-yl)oxyethyl]morpholine?
The IUPAC name of 4-[2-(1-phenylbenzimidazol-5-yl)oxyethyl]morpholine (CID 5328509) is 4-[2-(1-phenylbenzimidazol-5-yl)oxyethyl]morpholine.
What is the SMILES notation for 4-[2-(1-phenylbenzimidazol-5-yl)oxyethyl]morpholine?
The canonical SMILES for 4-[2-(1-phenylbenzimidazol-5-yl)oxyethyl]morpholine is c1ccc(-n2cnc3cc(OCCN4CCOCC4)ccc32)cc1.
What is the InChIKey of 4-[2-(1-phenylbenzimidazol-5-yl)oxyethyl]morpholine?
The InChIKey is MGIAPSWVYILGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-4-16(5-3-1)22-15-20-18-14-17(6-7-19(18)22)24-13-10-21-8-11-23-12-9-21/h1-7,14-15H,8-13H2.
What are the key properties of 4-[2-(1-phenylbenzimidazol-5-yl)oxyethyl]morpholine?
4-[2-(1-phenylbenzimidazol-5-yl)oxyethyl]morpholine has a molecular weight of 323.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-phenylbenzimidazol-5-yl)oxyethyl]morpholine is sourced from PubChem (CID 5328509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).