4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide

C22H26BrN3O — CID 16991537

IUPAC4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
SMILESCCCn1c(CCCCCNC(=O)c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C22H26BrN3O/c1-2-16-26-20-9-6-5-8-19(20)25-21(26)10-4-3-7-15-24-22(27)17-11-13-18(23)14-12-17/h5-6,8-9,11-14H,2-4,7,10,15-16H2,1H3,(H,24,27)
InChIKeyHCYDISKAJNBFCE-UHFFFAOYSA-N
MW428.37 g/mol
LogP5.35
Rot. Bonds9

About 4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide

4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide (PubChem CID 16991537) has the molecular formula C22H26BrN3O and a molecular weight of 428.37 g/mol. Its IUPAC name is 4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
PubChem CID16991537
Molecular FormulaC22H26BrN3O
Molecular Weight428.37 g/mol
Exact Mass427.13
IUPAC Name4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
SMILESCCCn1c(CCCCCNC(=O)c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C22H26BrN3O/c1-2-16-26-20-9-6-5-8-19(20)25-21(26)10-4-3-7-15-24-22(27)17-11-13-18(23)14-12-17/h5-6,8-9,11-14H,2-4,7,10,15-16H2,1H3,(H,24,27)
InChIKeyHCYDISKAJNBFCE-UHFFFAOYSA-N
XLogP5.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.37
LogP ≤ 55.35
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-fluoro-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
CID 16991699
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
4-bromo-N-[5-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991539
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide
CID 16991556
4-bromo-N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991626
4-bromo-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991580
N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991895
4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984758
4-bromo-N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991607
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16989267
4-bromo-N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991623

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide?
The IUPAC name of 4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide (CID 16991537) is 4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide.
What is the SMILES notation for 4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide?
The canonical SMILES for 4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide is CCCn1c(CCCCCNC(=O)c2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of 4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide?
The InChIKey is HCYDISKAJNBFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O/c1-2-16-26-20-9-6-5-8-19(20)25-21(26)10-4-3-7-15-24-22(27)17-11-13-18(23)14-12-17/h5-6,8-9,11-14H,2-4,7,10,15-16H2,1H3,(H,24,27).
What are the key properties of 4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide?
4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide has a molecular weight of 428.37 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide is sourced from PubChem (CID 16991537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).