N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide

C23H19Cl2N3O2 — CID 16970939

IUPACN-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H19Cl2N3O2/c24-18-11-10-16(12-19(18)25)14-28-21-9-5-4-8-20(21)27-22(28)13-26-23(29)15-30-17-6-2-1-3-7-17/h1-12H,13-15H2,(H,26,29)
InChIKeyMHKDJMAMAXNXOL-UHFFFAOYSA-N
MW440.33 g/mol
LogP5.09
Rot. Bonds7

About N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide

N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide (PubChem CID 16970939) has the molecular formula C23H19Cl2N3O2 and a molecular weight of 440.33 g/mol. Its IUPAC name is N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide
PubChem CID16970939
Molecular FormulaC23H19Cl2N3O2
Molecular Weight440.33 g/mol
Exact Mass439.09
IUPAC NameN-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H19Cl2N3O2/c24-18-11-10-16(12-19(18)25)14-28-21-9-5-4-8-20(21)27-22(28)13-26-23(29)15-30-17-6-2-1-3-7-17/h1-12H,13-15H2,(H,26,29)
InChIKeyMHKDJMAMAXNXOL-UHFFFAOYSA-N
XLogP5.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.33
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 993353
2-(4-chlorophenoxy)-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]acetamide
CID 16971102
2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16992872
N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986246
2-(2-chlorophenyl)-N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979261
N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007129
N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975738
N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 16970928
N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16978475
2-(4-chlorophenoxy)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]acetamide
CID 16986416
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006058
2-(4-chlorophenoxy)-N-[(1-pentylbenzimidazol-2-yl)methyl]acetamide
CID 16971076

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide (CID 16970939) is N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide?
The InChIKey is MHKDJMAMAXNXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O2/c24-18-11-10-16(12-19(18)25)14-28-21-9-5-4-8-20(21)27-22(28)13-26-23(29)15-30-17-6-2-1-3-7-17/h1-12H,13-15H2,(H,26,29).
What are the key properties of N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide?
N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide has a molecular weight of 440.33 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 16970939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).