ethane;methyl 2-[[1-[2-(3-chlorophenyl)ethyl]benzimidazol-2-yl]methoxy]benzoate

C26H27ClN2O3 — CID 142221191

IUPACethane;methyl 2-[[1-[2-(3-chlorophenyl)ethyl]benzimidazol-2-yl]methoxy]benzoate
SMILESCC.COC(=O)c1ccccc1OCc1nc2ccccc2n1CCc1cccc(Cl)c1
InChIInChI=1S/C24H21ClN2O3.C2H6/c1-29-24(28)19-9-2-5-12-22(19)30-16-23-26-20-10-3-4-11-21(20)27(23)14-13-17-7-6-8-18(25)15-17;1-2/h2-12,15H,13-14,16H2,1H3;1-2H3
InChIKeyAGIJXHJSJJMLDI-UHFFFAOYSA-N
MW450.97 g/mol
LogP6.32
Rot. Bonds7

About ethane;methyl 2-[[1-[2-(3-chlorophenyl)ethyl]benzimidazol-2-yl]methoxy]benzoate

ethane;methyl 2-[[1-[2-(3-chlorophenyl)ethyl]benzimidazol-2-yl]methoxy]benzoate (PubChem CID 142221191) has the molecular formula C26H27ClN2O3 and a molecular weight of 450.97 g/mol. Its IUPAC name is ethane;methyl 2-[[1-[2-(3-chlorophenyl)ethyl]benzimidazol-2-yl]methoxy]benzoate.

Molecular Properties

Compound Nameethane;methyl 2-[[1-[2-(3-chlorophenyl)ethyl]benzimidazol-2-yl]methoxy]benzoate
PubChem CID142221191
Molecular FormulaC26H27ClN2O3
Molecular Weight450.97 g/mol
Exact Mass450.17
IUPAC Nameethane;methyl 2-[[1-[2-(3-chlorophenyl)ethyl]benzimidazol-2-yl]methoxy]benzoate
SMILESCC.COC(=O)c1ccccc1OCc1nc2ccccc2n1CCc1cccc(Cl)c1
InChIInChI=1S/C24H21ClN2O3.C2H6/c1-29-24(28)19-9-2-5-12-22(19)30-16-23-26-20-10-3-4-11-21(20)27(23)14-13-17-7-6-8-18(25)15-17;1-2/h2-12,15H,13-14,16H2,1H3;1-2H3
InChIKeyAGIJXHJSJJMLDI-UHFFFAOYSA-N
XLogP6.32
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.97
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;methyl 2-[[1-[2-(3-chlorophenyl)ethyl]benzimidazol-2-yl]methoxy]benzoate with MolForge

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Related Compounds

methyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate
CID 142221111
ethane;methyl 2-[[1-[(E)-4-chloro-3-(chloromethyl)but-3-enyl]benzimidazol-2-yl]methoxy]benzoate;prop-1-ene
CID 142221137
2-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 86297263
methyl 2,2-bis(4-chlorophenyl)-2-[3-[2-(3-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-yl]acetate
CID 126616638
1-(4-chlorophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]ethanone
CID 16997569
3-chloro-N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977955
2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole
CID 16997296
methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate
CID 53112962
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17031857
2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 16997248
1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997302
3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid
CID 82144857

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-[[1-[2-(3-chlorophenyl)ethyl]benzimidazol-2-yl]methoxy]benzoate?
The IUPAC name of ethane;methyl 2-[[1-[2-(3-chlorophenyl)ethyl]benzimidazol-2-yl]methoxy]benzoate (CID 142221191) is ethane;methyl 2-[[1-[2-(3-chlorophenyl)ethyl]benzimidazol-2-yl]methoxy]benzoate.
What is the SMILES notation for ethane;methyl 2-[[1-[2-(3-chlorophenyl)ethyl]benzimidazol-2-yl]methoxy]benzoate?
The canonical SMILES for ethane;methyl 2-[[1-[2-(3-chlorophenyl)ethyl]benzimidazol-2-yl]methoxy]benzoate is CC.COC(=O)c1ccccc1OCc1nc2ccccc2n1CCc1cccc(Cl)c1.
What is the InChIKey of ethane;methyl 2-[[1-[2-(3-chlorophenyl)ethyl]benzimidazol-2-yl]methoxy]benzoate?
The InChIKey is AGIJXHJSJJMLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3.C2H6/c1-29-24(28)19-9-2-5-12-22(19)30-16-23-26-20-10-3-4-11-21(20)27(23)14-13-17-7-6-8-18(25)15-17;1-2/h2-12,15H,13-14,16H2,1H3;1-2H3.
What are the key properties of ethane;methyl 2-[[1-[2-(3-chlorophenyl)ethyl]benzimidazol-2-yl]methoxy]benzoate?
ethane;methyl 2-[[1-[2-(3-chlorophenyl)ethyl]benzimidazol-2-yl]methoxy]benzoate has a molecular weight of 450.97 g/mol, XLogP of 6.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-[[1-[2-(3-chlorophenyl)ethyl]benzimidazol-2-yl]methoxy]benzoate is sourced from PubChem (CID 142221191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).