N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide

C26H26BrN3O — CID 16991556

IUPACN-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide
SMILESO=C(NCCCCCc1nc2ccccc2n1Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C26H26BrN3O/c27-22-16-14-21(15-17-22)26(31)28-18-8-2-5-13-25-29-23-11-6-7-12-24(23)30(25)19-20-9-3-1-4-10-20/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-19H2,(H,28,31)
InChIKeySINLREZIWUSLHA-UHFFFAOYSA-N
MW476.42 g/mol
LogP5.99
Rot. Bonds9

About N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide

N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide (PubChem CID 16991556) has the molecular formula C26H26BrN3O and a molecular weight of 476.42 g/mol. Its IUPAC name is N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide
PubChem CID16991556
Molecular FormulaC26H26BrN3O
Molecular Weight476.42 g/mol
Exact Mass475.13
IUPAC NameN-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide
SMILESO=C(NCCCCCc1nc2ccccc2n1Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C26H26BrN3O/c27-22-16-14-21(15-17-22)26(31)28-18-8-2-5-13-25-29-23-11-6-7-12-24(23)30(25)19-20-9-3-1-4-10-20/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-19H2,(H,28,31)
InChIKeySINLREZIWUSLHA-UHFFFAOYSA-N
XLogP5.99
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 ≤ 55.99
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

N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991895
4-bromo-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991580
4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991579
N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide
CID 16991408
4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984748
4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
CID 16991537
4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984758
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide
CID 16984267
N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylbenzamide
CID 16989465
4-bromo-N-[5-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991539
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-3,4-dimethoxybenzamide
CID 16990908
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide?
The IUPAC name of N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide (CID 16991556) is N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide.
What is the SMILES notation for N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide?
The canonical SMILES for N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide is O=C(NCCCCCc1nc2ccccc2n1Cc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide?
The InChIKey is SINLREZIWUSLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrN3O/c27-22-16-14-21(15-17-22)26(31)28-18-8-2-5-13-25-29-23-11-6-7-12-24(23)30(25)19-20-9-3-1-4-10-20/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-19H2,(H,28,31).
What are the key properties of N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide?
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide has a molecular weight of 476.42 g/mol, XLogP of 5.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide is sourced from PubChem (CID 16991556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).