N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide

C24H21BrClN3O2 — CID 16978794

IUPACN-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCc1nc2ccccc2n1Cc1cccc(Br)c1
InChIInChI=1S/C24H21BrClN3O2/c25-18-5-3-4-17(14-18)15-29-22-7-2-1-6-21(22)28-23(29)12-13-27-24(30)16-31-20-10-8-19(26)9-11-20/h1-11,14H,12-13,15-16H2,(H,27,30)
InChIKeyPMXKYYSNSRTKIK-UHFFFAOYSA-N
MW498.81 g/mol
LogP5.24
Rot. Bonds8

About N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide

N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 16978794) has the molecular formula C24H21BrClN3O2 and a molecular weight of 498.81 g/mol. Its IUPAC name is N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide
PubChem CID16978794
Molecular FormulaC24H21BrClN3O2
Molecular Weight498.81 g/mol
Exact Mass497.05
IUPAC NameN-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCc1nc2ccccc2n1Cc1cccc(Br)c1
InChIInChI=1S/C24H21BrClN3O2/c25-18-5-3-4-17(14-18)15-29-22-7-2-1-6-21(22)28-23(29)12-13-27-24(30)16-31-20-10-8-19(26)9-11-20/h1-11,14H,12-13,15-16H2,(H,27,30)
InChIKeyPMXKYYSNSRTKIK-UHFFFAOYSA-N
XLogP5.24
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 ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974270
2-(4-chlorophenoxy)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]acetamide
CID 16986416
2-(4-chlorophenoxy)-N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978882
2-(4-chlorophenoxy)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide
CID 16978766
N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986246
2-(4-chlorophenoxy)-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993200
N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide
CID 16991408
N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980234
2-(4-chlorophenoxy)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 16978760
N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16978970
2-(4-chlorophenoxy)-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]acetamide
CID 16971102
2-(4-chlorophenoxy)-N-[5-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993186

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide (CID 16978794) is N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)NCCc1nc2ccccc2n1Cc1cccc(Br)c1.
What is the InChIKey of N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is PMXKYYSNSRTKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrClN3O2/c25-18-5-3-4-17(14-18)15-29-22-7-2-1-6-21(22)28-23(29)12-13-27-24(30)16-31-20-10-8-19(26)9-11-20/h1-11,14H,12-13,15-16H2,(H,27,30).
What are the key properties of N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide?
N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 498.81 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 16978794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).