ethyl 4-[4-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate

C28H30N4O4 — CID 69069769

IUPACethyl 4-[4-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate
SMILESCCOC(=O)CCC(CC)Oc1ccc(-n2cnc3cc(C(=O)NCc4cccnc4)ccc32)cc1
InChIInChI=1S/C28H30N4O4/c1-3-23(12-14-27(33)35-4-2)36-24-10-8-22(9-11-24)32-19-31-25-16-21(7-13-26(25)32)28(34)30-18-20-6-5-15-29-17-20/h5-11,13,15-17,19,23H,3-4,12,14,18H2,1-2H3,(H,30,34)
InChIKeyVEZQORBINKTZDE-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.85
Rot. Bonds11

About ethyl 4-[4-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate

ethyl 4-[4-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate (PubChem CID 69069769) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is ethyl 4-[4-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate.

Molecular Properties

Compound Nameethyl 4-[4-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate
PubChem CID69069769
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC Nameethyl 4-[4-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate
SMILESCCOC(=O)CCC(CC)Oc1ccc(-n2cnc3cc(C(=O)NCc4cccnc4)ccc32)cc1
InChIInChI=1S/C28H30N4O4/c1-3-23(12-14-27(33)35-4-2)36-24-10-8-22(9-11-24)32-19-31-25-16-21(7-13-26(25)32)28(34)30-18-20-6-5-15-29-17-20/h5-11,13,15-17,19,23H,3-4,12,14,18H2,1-2H3,(H,30,34)
InChIKeyVEZQORBINKTZDE-UHFFFAOYSA-N
XLogP4.85
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[4-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate with MolForge

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Related Compounds

1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11751247
1-[4-[3-(4-methoxyphenoxy)propoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 67012284
N-(pyridin-3-ylmethyl)-1-[4-[2-[2-(trifluoromethoxy)phenoxy]ethoxy]phenyl]benzimidazole-5-carboxamide
CID 67011613
1-[3-(3-phenylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11259761
1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11328540
1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 121080191
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
1-[3-[(4-chlorocyclohexyl)methylamino]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 143011539
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 26251280
1-[ethenyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 143011546
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199623

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate?
The IUPAC name of ethyl 4-[4-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate (CID 69069769) is ethyl 4-[4-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate.
What is the SMILES notation for ethyl 4-[4-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate?
The canonical SMILES for ethyl 4-[4-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate is CCOC(=O)CCC(CC)Oc1ccc(-n2cnc3cc(C(=O)NCc4cccnc4)ccc32)cc1.
What is the InChIKey of ethyl 4-[4-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate?
The InChIKey is VEZQORBINKTZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-3-23(12-14-27(33)35-4-2)36-24-10-8-22(9-11-24)32-19-31-25-16-21(7-13-26(25)32)28(34)30-18-20-6-5-15-29-17-20/h5-11,13,15-17,19,23H,3-4,12,14,18H2,1-2H3,(H,30,34).
What are the key properties of ethyl 4-[4-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate?
ethyl 4-[4-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate has a molecular weight of 486.57 g/mol, XLogP of 4.85, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate is sourced from PubChem (CID 69069769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).