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

C25H28Cl2FN3O — CID 18732498

IUPAC2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=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
InChIKeyYSYSTQCRYKQZMG-UHFFFAOYSA-N
MW476.42 g/mol
LogP7.43
Rot. Bonds8

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 Name2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide
PubChem CID18732498
Molecular FormulaC25H28Cl2FN3O
Molecular Weight476.42 g/mol
Exact Mass475.16
IUPAC Name2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=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
InChIKeyYSYSTQCRYKQZMG-UHFFFAOYSA-N
XLogP7.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.42
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).