3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide

C21H24BrN3O — CID 16990563

IUPAC3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
SMILESCCn1c(CCCCCNC(=O)c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C21H24BrN3O/c1-2-25-19-12-6-5-11-18(19)24-20(25)13-4-3-7-14-23-21(26)16-9-8-10-17(22)15-16/h5-6,8-12,15H,2-4,7,13-14H2,1H3,(H,23,26)
InChIKeyRWTLRLAYAXCYIE-UHFFFAOYSA-N
MW414.35 g/mol
LogP4.96
Rot. Bonds8

About 3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide

3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide (PubChem CID 16990563) has the molecular formula C21H24BrN3O and a molecular weight of 414.35 g/mol. Its IUPAC name is 3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
PubChem CID16990563
Molecular FormulaC21H24BrN3O
Molecular Weight414.35 g/mol
Exact Mass413.11
IUPAC Name3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
SMILESCCn1c(CCCCCNC(=O)c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C21H24BrN3O/c1-2-25-19-12-6-5-11-18(19)24-20(25)13-4-3-7-14-23-21(26)16-9-8-10-17(22)15-16/h5-6,8-12,15H,2-4,7,13-14H2,1H3,(H,23,26)
InChIKeyRWTLRLAYAXCYIE-UHFFFAOYSA-N
XLogP4.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 54.96
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-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16989267
3-bromo-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16983316
3-bromo-N-[5-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990589
N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990274
3-bromo-N-[5-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990672
3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16983297
3-bromo-N-[5-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990669
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-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990630
4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
CID 16991537
3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990259

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide?
The IUPAC name of 3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide (CID 16990563) is 3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide.
What is the SMILES notation for 3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide?
The canonical SMILES for 3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide is CCn1c(CCCCCNC(=O)c2cccc(Br)c2)nc2ccccc21.
What is the InChIKey of 3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide?
The InChIKey is RWTLRLAYAXCYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O/c1-2-25-19-12-6-5-11-18(19)24-20(25)13-4-3-7-14-23-21(26)16-9-8-10-17(22)15-16/h5-6,8-12,15H,2-4,7,13-14H2,1H3,(H,23,26).
What are the key properties of 3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide?
3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide has a molecular weight of 414.35 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide is sourced from PubChem (CID 16990563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).