4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide

C24H21BrClN3O2 — CID 16977496

IUPAC4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C24H21BrClN3O2/c25-18-7-5-17(6-8-18)24(30)27-14-13-23-28-21-3-1-2-4-22(21)29(23)15-16-31-20-11-9-19(26)10-12-20/h1-12H,13-16H2,(H,27,30)
InChIKeyNMZQFGVPHNAVSE-UHFFFAOYSA-N
MW498.81 g/mol
LogP5.50
Rot. Bonds8

About 4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide

4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16977496) has the molecular formula C24H21BrClN3O2 and a molecular weight of 498.81 g/mol. Its IUPAC name is 4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16977496
Molecular FormulaC24H21BrClN3O2
Molecular Weight498.81 g/mol
Exact Mass497.05
IUPAC Name4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C24H21BrClN3O2/c25-18-7-5-17(6-8-18)24(30)27-14-13-23-28-21-3-1-2-4-22(21)29(23)15-16-31-20-11-9-19(26)10-12-20/h1-12H,13-16H2,(H,27,30)
InChIKeyNMZQFGVPHNAVSE-UHFFFAOYSA-N
XLogP5.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.81
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977495
3-chloro-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977960
4-chloro-N-[2-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977241
N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982245
4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976738
4-bromo-N-[2-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977588
4-bromo-N-[2-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977526
4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984642
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 16977216
N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991278
4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984617
N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16978970

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide (CID 16977496) is 4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide is O=C(NCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is NMZQFGVPHNAVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrClN3O2/c25-18-7-5-17(6-8-18)24(30)27-14-13-23-28-21-3-1-2-4-22(21)29(23)15-16-31-20-11-9-19(26)10-12-20/h1-12H,13-16H2,(H,27,30).
What are the key properties of 4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 498.81 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16977496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).