4-fluoro-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide

C29H32FN3O2 — CID 16991802

IUPAC4-fluoro-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
SMILESO=C(NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C29H32FN3O2/c30-24-18-16-23(17-19-24)29(34)31-20-8-2-5-15-28-32-26-13-6-7-14-27(26)33(28)21-9-10-22-35-25-11-3-1-4-12-25/h1,3-4,6-7,11-14,16-19H,2,5,8-10,15,20-22H2,(H,31,34)
InChIKeyDXSSURUCKFURSD-UHFFFAOYSA-N
MW473.59 g/mol
LogP6.18
Rot. Bonds13

About 4-fluoro-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide

4-fluoro-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16991802) has the molecular formula C29H32FN3O2 and a molecular weight of 473.59 g/mol. Its IUPAC name is 4-fluoro-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
PubChem CID16991802
Molecular FormulaC29H32FN3O2
Molecular Weight473.59 g/mol
Exact Mass473.25
IUPAC Name4-fluoro-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
SMILESO=C(NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C29H32FN3O2/c30-24-18-16-23(17-19-24)29(34)31-20-8-2-5-15-28-32-26-13-6-7-14-27(26)33(28)21-9-10-22-35-25-11-3-1-4-12-25/h1,3-4,6-7,11-14,16-19H,2,5,8-10,15,20-22H2,(H,31,34)
InChIKeyDXSSURUCKFURSD-UHFFFAOYSA-N
XLogP6.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.59
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide
CID 16991791
4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991935
4-fluoro-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
CID 16991699
4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991331
3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990344
N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991334
2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16992936
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982302
N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989384
N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989356
N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-4-fluorobenzamide
CID 16977369
4-chloro-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991498

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 4-fluoro-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide (CID 16991802) is 4-fluoro-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide is O=C(NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is DXSSURUCKFURSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O2/c30-24-18-16-23(17-19-24)29(34)31-20-8-2-5-15-28-32-26-13-6-7-14-27(26)33(28)21-9-10-22-35-25-11-3-1-4-12-25/h1,3-4,6-7,11-14,16-19H,2,5,8-10,15,20-22H2,(H,31,34).
What are the key properties of 4-fluoro-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide?
4-fluoro-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 473.59 g/mol, XLogP of 6.18, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16991802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).