2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide

C24H22ClN3O2 — CID 17031896

IUPAC2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1c(COc2ccccc2Cl)nc2ccccc21)c1ccccc1
InChIInChI=1S/C24H22ClN3O2/c1-17(18-9-3-2-4-10-18)26-24(29)15-28-21-13-7-6-12-20(21)27-23(28)16-30-22-14-8-5-11-19(22)25/h2-14,17H,15-16H2,1H3,(H,26,29)
InChIKeyNTGNBYJLAKEXDN-UHFFFAOYSA-N
MW419.91 g/mol
LogP5.15
Rot. Bonds7

About 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide

2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 17031896) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
PubChem CID17031896
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC Name2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1c(COc2ccccc2Cl)nc2ccccc21)c1ccccc1
InChIInChI=1S/C24H22ClN3O2/c1-17(18-9-3-2-4-10-18)26-24(29)15-28-21-13-7-6-12-20(21)27-23(28)16-30-22-14-8-5-11-19(22)25/h2-14,17H,15-16H2,1H3,(H,26,29)
InChIKeyNTGNBYJLAKEXDN-UHFFFAOYSA-N
XLogP5.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17031857
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
CID 17031855
2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17028848
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propylacetamide
CID 17031853
2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 25346259
N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 110882950
2-methyl-N-[[1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17029092
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 17031887
2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17032419
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
CID 17031904
N-[2-[1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030691
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17031181

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide (CID 17031896) is 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide is CC(NC(=O)Cn1c(COc2ccccc2Cl)nc2ccccc21)c1ccccc1.
What is the InChIKey of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is NTGNBYJLAKEXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-17(18-9-3-2-4-10-18)26-24(29)15-28-21-13-7-6-12-20(21)27-23(28)16-30-22-14-8-5-11-19(22)25/h2-14,17H,15-16H2,1H3,(H,26,29).
What are the key properties of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 419.91 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 17031896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).