N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide

C24H30FN3O — CID 18733345

IUPACN-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccccc1F
InChIInChI=1S/C24H30FN3O/c1-3-5-11-16-27(24(29)19-12-7-8-13-20(19)25)18-23-26-21-14-9-10-15-22(21)28(23)17-6-4-2/h7-10,12-15H,3-6,11,16-18H2,1-2H3
InChIKeyWGKNBWFNGVVESB-UHFFFAOYSA-N
MW395.52 g/mol
LogP5.81
Rot. Bonds10

About N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide

N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide (PubChem CID 18733345) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide.

Molecular Properties

Compound NameN-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide
PubChem CID18733345
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC NameN-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccccc1F
InChIInChI=1S/C24H30FN3O/c1-3-5-11-16-27(24(29)19-12-7-8-13-20(19)25)18-23-26-21-14-9-10-15-22(21)28(23)17-6-4-2/h7-10,12-15H,3-6,11,16-18H2,1-2H3
InChIKeyWGKNBWFNGVVESB-UHFFFAOYSA-N
XLogP5.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 55.81
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

N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide
CID 18733339
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734526
N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide
CID 18734478
N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide
CID 18733321
N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734407
2-fluoro-N-[(1-hexadecylbenzimidazol-2-yl)methyl]benzamide
CID 17007744
N-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734496
2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732577
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 18733917
N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734409
N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733389
N-[(1-benzylbenzimidazol-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 18733309

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide?
The IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide (CID 18733345) is N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide.
What is the SMILES notation for N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide?
The canonical SMILES for N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide is CCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccccc1F.
What is the InChIKey of N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide?
The InChIKey is WGKNBWFNGVVESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-3-5-11-16-27(24(29)19-12-7-8-13-20(19)25)18-23-26-21-14-9-10-15-22(21)28(23)17-6-4-2/h7-10,12-15H,3-6,11,16-18H2,1-2H3.
What are the key properties of N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide?
N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide has a molecular weight of 395.52 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide is sourced from PubChem (CID 18733345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).