4-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]morpholine

C25H25FN4O2 — CID 11676381

IUPAC4-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]morpholine
SMILESFc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C25H25FN4O2/c26-19-5-10-24-23(18-19)28-25(22-4-1-2-11-27-22)30(24)20-6-8-21(9-7-20)32-15-3-12-29-13-16-31-17-14-29/h1-2,4-11,18H,3,12-17H2
InChIKeyADHCEOHLWFBYCU-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.33
Rot. Bonds7

About 4-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]morpholine

4-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]morpholine (PubChem CID 11676381) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]morpholine
PubChem CID11676381
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name4-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]morpholine
SMILESFc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C25H25FN4O2/c26-19-5-10-24-23(18-19)28-25(22-4-1-2-11-27-22)30(24)20-6-8-21(9-7-20)32-15-3-12-29-13-16-31-17-14-29/h1-2,4-11,18H,3,12-17H2
InChIKeyADHCEOHLWFBYCU-UHFFFAOYSA-N
XLogP4.33
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.33
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

N-{4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}-4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 6539010
1-Ethyl-2-(2-methoxy-phenoxymethyl)-1H-benzoimidazole
CID 687911
(1-{3-[4-(1h-Benzimidazol-2-Ylamino)phenoxy]pyridin-2-Yl}piperidin-4-Yl)methanol
CID 70679302
5-ethoxy-1-phenyl-1H-1,3-benzodiazole
CID 5328497
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
1-phenyl-5-(prop-2-en-1-yloxy)-1H-1,3-benzodiazole
CID 5328501
5-Substituted 1-Phenylbenzimidazole 15
CID 5328505
dimethyl({3-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]propyl})amine
CID 5328507
dimethyl({4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butyl})amine
CID 5328508
5-Substituted 1-Phenylbenzimidazole 19
CID 5328509
5-Substituted 1-Phenylbenzimidazole 20
CID 5328510
5-Substituted 1-Phenylbenzimidazole 21
CID 5328511

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]morpholine?
The IUPAC name of 4-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]morpholine (CID 11676381) is 4-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]morpholine is Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of 4-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]morpholine?
The InChIKey is ADHCEOHLWFBYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c26-19-5-10-24-23(18-19)28-25(22-4-1-2-11-27-22)30(24)20-6-8-21(9-7-20)32-15-3-12-29-13-16-31-17-14-29/h1-2,4-11,18H,3,12-17H2.
What are the key properties of 4-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]morpholine?
4-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]morpholine has a molecular weight of 432.50 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]morpholine is sourced from PubChem (CID 11676381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).