4-[2-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]ethyl]morpholine

C15H19ClFN3O — CID 60788983

IUPAC4-[2-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]ethyl]morpholine
SMILESFc1cccc2c1nc(CCCl)n2CCN1CCOCC1
InChIInChI=1S/C15H19ClFN3O/c16-5-4-14-18-15-12(17)2-1-3-13(15)20(14)7-6-19-8-10-21-11-9-19/h1-3H,4-11H2
InChIKeySZMXZBOFNWTBDD-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.29
Rot. Bonds5

About 4-[2-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]ethyl]morpholine

4-[2-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]ethyl]morpholine (PubChem CID 60788983) has the molecular formula C15H19ClFN3O and a molecular weight of 311.79 g/mol. Its IUPAC name is 4-[2-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]ethyl]morpholine
PubChem CID60788983
Molecular FormulaC15H19ClFN3O
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC Name4-[2-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]ethyl]morpholine
SMILESFc1cccc2c1nc(CCCl)n2CCN1CCOCC1
InChIInChI=1S/C15H19ClFN3O/c16-5-4-14-18-15-12(17)2-1-3-13(15)20(14)7-6-19-8-10-21-11-9-19/h1-3H,4-11H2
InChIKeySZMXZBOFNWTBDD-UHFFFAOYSA-N
XLogP2.29
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]ethyl]morpholine (CID 60788983) is 4-[2-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]ethyl]morpholine is Fc1cccc2c1nc(CCCl)n2CCN1CCOCC1.
What is the InChIKey of 4-[2-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]ethyl]morpholine?
The InChIKey is SZMXZBOFNWTBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O/c16-5-4-14-18-15-12(17)2-1-3-13(15)20(14)7-6-19-8-10-21-11-9-19/h1-3H,4-11H2.
What are the key properties of 4-[2-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]ethyl]morpholine?
4-[2-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]ethyl]morpholine has a molecular weight of 311.79 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 60788983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).