2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethylacetamide

C20H21Cl2N3O2 — CID 16997253

IUPAC2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C20H21Cl2N3O2/c1-3-24(4-2)20(26)12-25-17-8-6-5-7-16(17)23-19(25)13-27-18-10-9-14(21)11-15(18)22/h5-11H,3-4,12-13H2,1-2H3
InChIKeyREQYMTMOXYRKQA-UHFFFAOYSA-N
MW406.31 g/mol
LogP4.79
Rot. Bonds7

About 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethylacetamide

2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethylacetamide (PubChem CID 16997253) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethylacetamide
PubChem CID16997253
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC Name2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C20H21Cl2N3O2/c1-3-24(4-2)20(26)12-25-17-8-6-5-7-16(17)23-19(25)13-27-18-10-9-14(21)11-15(18)22/h5-11H,3-4,12-13H2,1-2H3
InChIKeyREQYMTMOXYRKQA-UHFFFAOYSA-N
XLogP4.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17032224
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-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 16997147
2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997233
2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 16997248
1-[3-(4-chlorophenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997224
1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol
CID 156620630
1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
CID 156620639
2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16998040
3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978024
2-[2-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 16986503

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethylacetamide (CID 16997253) is 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21.
What is the InChIKey of 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethylacetamide?
The InChIKey is REQYMTMOXYRKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2/c1-3-24(4-2)20(26)12-25-17-8-6-5-7-16(17)23-19(25)13-27-18-10-9-14(21)11-15(18)22/h5-11H,3-4,12-13H2,1-2H3.
What are the key properties of 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethylacetamide?
2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethylacetamide has a molecular weight of 406.31 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 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,N-diethylacetamide is sourced from PubChem (CID 16997253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).