2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide

C24H21Cl2N3O2 — CID 17032224

IUPAC2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C24H21Cl2N3O2/c1-15-6-5-7-16(2)24(15)28-23(30)13-29-20-9-4-3-8-19(20)27-22(29)14-31-21-11-10-17(25)12-18(21)26/h3-12H,13-14H2,1-2H3,(H,28,30)
InChIKeyJTQIWCLFFJVBKB-UHFFFAOYSA-N
MW454.36 g/mol
LogP6.18
Rot. Bonds6

About 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide

2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 17032224) has the molecular formula C24H21Cl2N3O2 and a molecular weight of 454.36 g/mol. Its IUPAC name is 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID17032224
Molecular FormulaC24H21Cl2N3O2
Molecular Weight454.36 g/mol
Exact Mass453.10
IUPAC Name2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C24H21Cl2N3O2/c1-15-6-5-7-16(2)24(15)28-23(30)13-29-20-9-4-3-8-19(20)27-22(29)14-31-21-11-10-17(25)12-18(21)26/h3-12H,13-14H2,1-2H3,(H,28,30)
InChIKeyJTQIWCLFFJVBKB-UHFFFAOYSA-N
XLogP6.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 16997253
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 17031887
2-[2-[(4-chlorophenyl)sulfanylmethyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 1486623
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17033143
2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-1-(2,5-dimethyl-1-propylpyrrol-3-yl)ethanone
CID 4655636
2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 709669
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17031857
1-(4-chlorophenyl)-2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]ethanone
CID 16997817
N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031971
1-(2,4-dichlorophenoxy)-3-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 172933944
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-propylacetamide
CID 17031853

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 17032224) is 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21.
What is the InChIKey of 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is JTQIWCLFFJVBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O2/c1-15-6-5-7-16(2)24(15)28-23(30)13-29-20-9-4-3-8-19(20)27-22(29)14-31-21-11-10-17(25)12-18(21)26/h3-12H,13-14H2,1-2H3,(H,28,30).
What are the key properties of 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 454.36 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 17032224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).