2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide

C23H26F3N3O — CID 18732577

IUPAC2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C23H26F3N3O/c1-3-5-6-12-28(23(30)18-13-16(24)7-9-19(18)26)15-22-27-20-10-8-17(25)14-21(20)29(22)11-4-2/h7-10,13-14H,3-6,11-12,15H2,1-2H3
InChIKeyKWBCOMBRBRBAJD-UHFFFAOYSA-N
MW417.48 g/mol
LogP5.70
Rot. Bonds9

About 2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide

2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide (PubChem CID 18732577) has the molecular formula C23H26F3N3O and a molecular weight of 417.48 g/mol. Its IUPAC name is 2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
PubChem CID18732577
Molecular FormulaC23H26F3N3O
Molecular Weight417.48 g/mol
Exact Mass417.20
IUPAC Name2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C23H26F3N3O/c1-3-5-6-12-28(23(30)18-13-16(24)7-9-19(18)26)15-22-27-20-10-8-17(25)14-21(20)29(22)11-4-2/h7-10,13-14H,3-6,11-12,15H2,1-2H3
InChIKeyKWBCOMBRBRBAJD-UHFFFAOYSA-N
XLogP5.70
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.48
LogP ≤ 55.70
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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Related Compounds

2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18732565
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734526
3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732852
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide
CID 18734004
2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732526
N-[[5-[[ethyl(pentyl)amino]methyl]-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-propylbenzamide
CID 18733670
N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 18734542
N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734409
N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide
CID 18734468
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,3,6-trifluorobenzamide
CID 18734522
N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide
CID 18733345
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 18734035

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide?
The IUPAC name of 2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide (CID 18732577) is 2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide.
What is the SMILES notation for 2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide?
The canonical SMILES for 2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide is CCCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide?
The InChIKey is KWBCOMBRBRBAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O/c1-3-5-6-12-28(23(30)18-13-16(24)7-9-19(18)26)15-22-27-20-10-8-17(25)14-21(20)29(22)11-4-2/h7-10,13-14H,3-6,11-12,15H2,1-2H3.
What are the key properties of 2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide?
2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide has a molecular weight of 417.48 g/mol, XLogP of 5.70, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide is sourced from PubChem (CID 18732577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).