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

C18H18BrN3O — CID 16983297

IUPAC3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
SMILESCn1c(CCCNC(=O)c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C18H18BrN3O/c1-22-16-9-3-2-8-15(16)21-17(22)10-5-11-20-18(23)13-6-4-7-14(19)12-13/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,23)
InChIKeyOAVHPXWCOSAQCT-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.70
Rot. Bonds5

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

3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide (PubChem CID 16983297) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is 3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
PubChem CID16983297
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC Name3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
SMILESCn1c(CCCNC(=O)c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C18H18BrN3O/c1-22-16-9-3-2-8-15(16)21-17(22)10-5-11-20-18(23)13-6-4-7-14(19)12-13/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,23)
InChIKeyOAVHPXWCOSAQCT-UHFFFAOYSA-N
XLogP3.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.70
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
3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16990563
3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16983344
3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983329
3-bromo-N-[3-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983370
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
3-bromo-N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983366
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
3-bromo-N-[5-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990672
3-bromo-N-[5-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990669

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide?
The IUPAC name of 3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide (CID 16983297) is 3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide.
What is the SMILES notation for 3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide?
The canonical SMILES for 3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide is Cn1c(CCCNC(=O)c2cccc(Br)c2)nc2ccccc21.
What is the InChIKey of 3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide?
The InChIKey is OAVHPXWCOSAQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c1-22-16-9-3-2-8-15(16)21-17(22)10-5-11-20-18(23)13-6-4-7-14(19)12-13/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,23).
What are the key properties of 3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide?
3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide has a molecular weight of 372.27 g/mol, XLogP of 3.70, 5 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-methylbenzimidazol-2-yl)propyl]benzamide is sourced from PubChem (CID 16983297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).