2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide

C24H22ClN3O2 — CID 17031887

IUPAC2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(COc3ccccc3Cl)nc3ccccc32)c(C)c1
InChIInChI=1S/C24H22ClN3O2/c1-16-11-12-19(17(2)13-16)27-24(29)14-28-21-9-5-4-8-20(21)26-23(28)15-30-22-10-6-3-7-18(22)25/h3-13H,14-15H2,1-2H3,(H,27,29)
InChIKeyDXFQQXXLCBQBGD-UHFFFAOYSA-N
MW419.91 g/mol
LogP5.52
Rot. Bonds6

About 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide

2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 17031887) 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-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID17031887
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC Name2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(COc3ccccc3Cl)nc3ccccc32)c(C)c1
InChIInChI=1S/C24H22ClN3O2/c1-16-11-12-19(17(2)13-16)27-24(29)14-28-21-9-5-4-8-20(21)26-23(28)15-30-22-10-6-3-7-18(22)25/h3-13H,14-15H2,1-2H3,(H,27,29)
InChIKeyDXFQQXXLCBQBGD-UHFFFAOYSA-N
XLogP5.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 17032131
N-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032273
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17031857
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propylacetamide
CID 17031853
2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2-chlorophenyl)acetamide
CID 17032112
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
CID 17031855
2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17032224
N-(2-chloro-4-methylphenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 18097747
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17031896
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 17032461
1-[4-(2-chlorophenoxy)butyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole
CID 18878209

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide (CID 17031887) is 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2c(COc3ccccc3Cl)nc3ccccc32)c(C)c1.
What is the InChIKey of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is DXFQQXXLCBQBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-16-11-12-19(17(2)13-16)27-24(29)14-28-21-9-5-4-8-20(21)26-23(28)15-30-22-10-6-3-7-18(22)25/h3-13H,14-15H2,1-2H3,(H,27,29).
What are the key properties of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 419.91 g/mol, XLogP of 5.52, 6 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-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 17031887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).