4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide

C26H26BrN3O — CID 16984758

IUPAC4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
SMILESO=C(NCCCc1nc2ccccc2n1CCCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C26H26BrN3O/c27-22-16-14-21(15-17-22)26(31)28-18-6-13-25-29-23-11-4-5-12-24(23)30(25)19-7-10-20-8-2-1-3-9-20/h1-5,8-9,11-12,14-17H,6-7,10,13,18-19H2,(H,28,31)
InChIKeyFCSJLFFZQVFXGO-UHFFFAOYSA-N
MW476.42 g/mol
LogP5.79
Rot. Bonds9

About 4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide

4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide (PubChem CID 16984758) has the molecular formula C26H26BrN3O and a molecular weight of 476.42 g/mol. Its IUPAC name is 4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
PubChem CID16984758
Molecular FormulaC26H26BrN3O
Molecular Weight476.42 g/mol
Exact Mass475.13
IUPAC Name4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
SMILESO=C(NCCCc1nc2ccccc2n1CCCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C26H26BrN3O/c27-22-16-14-21(15-17-22)26(31)28-18-6-13-25-29-23-11-4-5-12-24(23)30(25)19-7-10-20-8-2-1-3-9-20/h1-5,8-9,11-12,14-17H,6-7,10,13,18-19H2,(H,28,31)
InChIKeyFCSJLFFZQVFXGO-UHFFFAOYSA-N
XLogP5.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.42
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984294
3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16983344
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide
CID 16991556
4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991259
4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
CID 16991537
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16982550
4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984748
4-bromo-N-[5-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991539
4-bromo-N-[3-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16984820
4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17008873
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide
CID 16984267

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide (CID 16984758) is 4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide is O=C(NCCCc1nc2ccccc2n1CCCc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide?
The InChIKey is FCSJLFFZQVFXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrN3O/c27-22-16-14-21(15-17-22)26(31)28-18-6-13-25-29-23-11-4-5-12-24(23)30(25)19-7-10-20-8-2-1-3-9-20/h1-5,8-9,11-12,14-17H,6-7,10,13,18-19H2,(H,28,31).
What are the key properties of 4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide?
4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide has a molecular weight of 476.42 g/mol, XLogP of 5.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16984758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).