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

C26H26BrN3O — CID 16983344

IUPAC3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
SMILESO=C(NCCCc1nc2ccccc2n1CCCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C26H26BrN3O/c27-22-13-6-12-21(19-22)26(31)28-17-7-16-25-29-23-14-4-5-15-24(23)30(25)18-8-11-20-9-2-1-3-10-20/h1-6,9-10,12-15,19H,7-8,11,16-18H2,(H,28,31)
InChIKeyFCEZSNDMUUBIEI-UHFFFAOYSA-N
MW476.42 g/mol
LogP5.79
Rot. Bonds9

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

3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide (PubChem CID 16983344) has the molecular formula C26H26BrN3O and a molecular weight of 476.42 g/mol. Its IUPAC name is 3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
PubChem CID16983344
Molecular FormulaC26H26BrN3O
Molecular Weight476.42 g/mol
Exact Mass475.13
IUPAC Name3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
SMILESO=C(NCCCc1nc2ccccc2n1CCCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C26H26BrN3O/c27-22-13-6-12-21(19-22)26(31)28-17-7-16-25-29-23-14-4-5-15-24(23)30(25)18-8-11-20-9-2-1-3-10-20/h1-6,9-10,12-15,19H,7-8,11,16-18H2,(H,28,31)
InChIKeyFCEZSNDMUUBIEI-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

3-bromo-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16983316
4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984758
3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16983297
3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983329
3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16990563
4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984294
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-3-bromobenzamide
CID 16983452
3-bromo-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983358
3-bromo-N-[3-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16983404
3-bromo-N-[3-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16983393
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
3-bromo-N-[5-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990672

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide (CID 16983344) is 3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide is O=C(NCCCc1nc2ccccc2n1CCCc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide?
The InChIKey is FCEZSNDMUUBIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrN3O/c27-22-13-6-12-21(19-22)26(31)28-17-7-16-25-29-23-14-4-5-15-24(23)30(25)18-8-11-20-9-2-1-3-10-20/h1-6,9-10,12-15,19H,7-8,11,16-18H2,(H,28,31).
What are the key properties of 3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide?
3-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 3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16983344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).