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

C24H21BrClN3O — CID 16983329

IUPAC3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
SMILESO=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C24H21BrClN3O/c25-19-6-3-5-18(15-19)24(30)27-14-4-9-23-28-21-7-1-2-8-22(21)29(23)16-17-10-12-20(26)13-11-17/h1-3,5-8,10-13,15H,4,9,14,16H2,(H,27,30)
InChIKeyVRJHITBHVSCBSI-UHFFFAOYSA-N
MW482.81 g/mol
LogP5.86
Rot. Bonds7

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

3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16983329) has the molecular formula C24H21BrClN3O and a molecular weight of 482.81 g/mol. Its IUPAC name is 3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID16983329
Molecular FormulaC24H21BrClN3O
Molecular Weight482.81 g/mol
Exact Mass481.06
IUPAC Name3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
SMILESO=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C24H21BrClN3O/c25-19-6-3-5-18(15-19)24(30)27-14-4-9-23-28-21-7-1-2-8-22(21)29(23)16-17-10-12-20(26)13-11-17/h1-3,5-8,10-13,15H,4,9,14,16H2,(H,27,30)
InChIKeyVRJHITBHVSCBSI-UHFFFAOYSA-N
XLogP5.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.81
LogP ≤ 55.86
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-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide
CID 16991408
3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16983344
3-bromo-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16983316
3-bromo-N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990630
N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 16983804
3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16990563
3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990438
2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16982697
N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990274
3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16983297
3-bromo-N-[5-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990589
3-bromo-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983358

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide (CID 16983329) is 3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide is O=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is VRJHITBHVSCBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrClN3O/c25-19-6-3-5-18(15-19)24(30)27-14-4-9-23-28-21-7-1-2-8-22(21)29(23)16-17-10-12-20(26)13-11-17/h1-3,5-8,10-13,15H,4,9,14,16H2,(H,27,30).
What are the key properties of 3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 482.81 g/mol, XLogP of 5.86, 7 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-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16983329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).