2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide

C₂₅H₂₈Cl₂FN₃O — CID 18732498

About 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide

2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide (PubChem CID 18732498) has the molecular formula C₂₅H₂₈Cl₂FN₃O and a molecular weight of 476.42 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide
• PubChem CID: 18732498
• Molecular Formula: C₂₅H₂₈Cl₂FN₃O
• Molecular Weight: 476.42 g/mol
• Exact Mass: 475.16
• IUPAC Name: 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide
• SMILES: CCCCCN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cc(Cl)ccc1Cl
• InChI: InChI=1S/C25H28Cl2FN3O/c1-2-3-6-13-30(25(32)20-14-17(26)9-11-21(20)27)16-24-29-22-15-18(28)10-12-23(22)31(24)19-7-4-5-8-19/h9-12,14-15,19H,2-8,13,16H2,1H3
• InChIKey: YSYSTQCRYKQZMG-UHFFFAOYSA-N
• XLogP: 7.43
• TPSA: 38.13 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.42
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide?

The IUPAC name of 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide (CID 18732498) is 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide.

What is the SMILES notation for 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide?

The canonical SMILES for 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide is CCCCCN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cc(Cl)ccc1Cl.

What is the InChIKey of 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide?

The InChIKey is YSYSTQCRYKQZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2FN3O/c1-2-3-6-13-30(25(32)20-14-17(26)9-11-21(20)27)16-24-29-22-15-18(28)10-12-23(22)31(24)19-7-4-5-8-19/h9-12,14-15,19H,2-8,13,16H2,1H3.

What are the key properties of 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide?

2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide has a molecular weight of 476.42 g/mol, XLogP of 7.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide is sourced from PubChem (CID 18732498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 18732498 — identifiers, structure, computed properties (public domain)

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