[4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone

C₂₀H₂₃FN₄O₂ — CID 155052769

About [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone

[4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 155052769) has the molecular formula C₂₀H₂₃FN₄O₂ and a molecular weight of 370.43 g/mol. Its IUPAC name is [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone
• PubChem CID: 155052769
• Molecular Formula: C₂₀H₂₃FN₄O₂
• Molecular Weight: 370.43 g/mol
• Exact Mass: 370.18
• IUPAC Name: [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone
• SMILES: CCN1c2cccc(-c3ccc(C(=O)N4CCOCC4)cc3)c2NC1NF
• InChI: InChI=1S/C20H23FN4O2/c1-2-25-17-5-3-4-16(18(17)22-20(25)23-21)14-6-8-15(9-7-14)19(26)24-10-12-27-13-11-24/h3-9,20,22-23H,2,10-13H2,1H3
• InChIKey: QFEISEBGKVBLHK-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 56.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.43
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone?

The IUPAC name of [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone (CID 155052769) is [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone.

What is the SMILES notation for [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone?

The canonical SMILES for [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone is CCN1c2cccc(-c3ccc(C(=O)N4CCOCC4)cc3)c2NC1NF.

What is the InChIKey of [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone?

The InChIKey is QFEISEBGKVBLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-2-25-17-5-3-4-16(18(17)22-20(25)23-21)14-6-8-15(9-7-14)19(26)24-10-12-27-13-11-24/h3-9,20,22-23H,2,10-13H2,1H3.

What are the key properties of [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone?

[4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 370.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155052769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155052769 — identifiers, structure, computed properties (public domain)

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