ethyl 2-[2-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetate

C17H14Cl2N2O3 — CID 103596999

IUPACethyl 2-[2-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1Cl
InChIInChI=1S/C17H14Cl2N2O3/c1-2-23-16(22)9-24-15-6-3-10(7-12(15)19)17-20-13-5-4-11(18)8-14(13)21-17/h3-8H,2,9H2,1H3,(H,20,21)
InChIKeyLOHCDJLPEJRTLB-UHFFFAOYSA-N
MW365.22 g/mol
LogP4.48
Rot. Bonds5

About ethyl 2-[2-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetate

ethyl 2-[2-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetate (PubChem CID 103596999) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is ethyl 2-[2-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetate
PubChem CID103596999
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Nameethyl 2-[2-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1Cl
InChIInChI=1S/C17H14Cl2N2O3/c1-2-23-16(22)9-24-15-6-3-10(7-12(15)19)17-20-13-5-4-11(18)8-14(13)21-17/h3-8H,2,9H2,1H3,(H,20,21)
InChIKeyLOHCDJLPEJRTLB-UHFFFAOYSA-N
XLogP4.48
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
ethyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 91673681
N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 17296439
2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid
CID 45408654
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 17297281
N-[5-(6-chloro-1H-benzimidazol-2-yl)-2-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-phenylprop-2-ynamide
CID 141413636
ethyl 2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 62533448
4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide
CID 100579654
[2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69372375
6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole
CID 25255675
2-(3-chloro-4-pentoxyphenyl)-1H-benzimidazole
CID 168553650

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetate?
The IUPAC name of ethyl 2-[2-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetate (CID 103596999) is ethyl 2-[2-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetate is CCOC(=O)COc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1Cl.
What is the InChIKey of ethyl 2-[2-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetate?
The InChIKey is LOHCDJLPEJRTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-2-23-16(22)9-24-15-6-3-10(7-12(15)19)17-20-13-5-4-11(18)8-14(13)21-17/h3-8H,2,9H2,1H3,(H,20,21).
What are the key properties of ethyl 2-[2-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetate?
ethyl 2-[2-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetate has a molecular weight of 365.22 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetate is sourced from PubChem (CID 103596999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).