ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate

C25H26N4O3 — CID 159027962

IUPACethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(Oc2ccc3c(c2)nc(Nc2ccc(CC)cc2)n3C)ccn1
InChIInChI=1S/C25H26N4O3/c1-4-17-6-8-18(9-7-17)27-25-28-22-16-20(10-11-23(22)29(25)3)32-21-12-13-26-19(14-21)15-24(30)31-5-2/h6-14,16H,4-5,15H2,1-3H3,(H,27,28)
InChIKeyJUMZOGOERNXGEF-UHFFFAOYSA-N
MW430.51 g/mol
LogP5.17
Rot. Bonds8

About ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate

ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate (PubChem CID 159027962) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate
PubChem CID159027962
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Nameethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(Oc2ccc3c(c2)nc(Nc2ccc(CC)cc2)n3C)ccn1
InChIInChI=1S/C25H26N4O3/c1-4-17-6-8-18(9-7-17)27-25-28-22-16-20(10-11-23(22)29(25)3)32-21-12-13-26-19(14-21)15-24(30)31-5-2/h6-14,16H,4-5,15H2,1-3H3,(H,27,28)
InChIKeyJUMZOGOERNXGEF-UHFFFAOYSA-N
XLogP5.17
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate with MolForge

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Related Compounds

N-(4-ethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine
CID 91229348
2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 22041271
4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
CID 21037272
1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 161256236
1-[4-[2-(3,5-dimethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 158627942
methyl 2-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate
CID 162200780
1-[4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 158851241
methyl N-[[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]methyl]carbamate
CID 21037312
3-tert-butyl-4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid
CID 22040894
1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 160770747
2-[4-[2-(4-chloro-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 161210208
CID 89129994
CID 89129994

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate (CID 159027962) is ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate is CCOC(=O)Cc1cc(Oc2ccc3c(c2)nc(Nc2ccc(CC)cc2)n3C)ccn1.
What is the InChIKey of ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate?
The InChIKey is JUMZOGOERNXGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-4-17-6-8-18(9-7-17)27-25-28-22-16-20(10-11-23(22)29(25)3)32-21-12-13-26-19(14-21)15-24(30)31-5-2/h6-14,16H,4-5,15H2,1-3H3,(H,27,28).
What are the key properties of ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate?
ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate has a molecular weight of 430.51 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate is sourced from PubChem (CID 159027962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).