ethyl 2-[2-oxo-3-[[1-[2-(tetrazol-2-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]acetate

C22H22N8O3 — CID 23551517

IUPACethyl 2-[2-oxo-3-[[1-[2-(tetrazol-2-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)n(Cc2nc3ccccc3n2CCn2ncnn2)c2ccccc21
InChIInChI=1S/C22H22N8O3/c1-2-33-21(31)14-29-19-10-6-5-9-18(19)28(22(29)32)13-20-25-16-7-3-4-8-17(16)27(20)11-12-30-24-15-23-26-30/h3-10,15H,2,11-14H2,1H3
InChIKeyZVEYMHJKFMYKMR-UHFFFAOYSA-N
MW446.47 g/mol
LogP1.45
Rot. Bonds8

About ethyl 2-[2-oxo-3-[[1-[2-(tetrazol-2-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]acetate

ethyl 2-[2-oxo-3-[[1-[2-(tetrazol-2-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]acetate (PubChem CID 23551517) has the molecular formula C22H22N8O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is ethyl 2-[2-oxo-3-[[1-[2-(tetrazol-2-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-oxo-3-[[1-[2-(tetrazol-2-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]acetate
PubChem CID23551517
Molecular FormulaC22H22N8O3
Molecular Weight446.47 g/mol
Exact Mass446.18
IUPAC Nameethyl 2-[2-oxo-3-[[1-[2-(tetrazol-2-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)n(Cc2nc3ccccc3n2CCn2ncnn2)c2ccccc21
InChIInChI=1S/C22H22N8O3/c1-2-33-21(31)14-29-19-10-6-5-9-18(19)28(22(29)32)13-20-25-16-7-3-4-8-17(16)27(20)11-12-30-24-15-23-26-30/h3-10,15H,2,11-14H2,1H3
InChIKeyZVEYMHJKFMYKMR-UHFFFAOYSA-N
XLogP1.45
TPSA114.65 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.47
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze ethyl 2-[2-oxo-3-[[1-[2-(tetrazol-2-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]acetate with MolForge

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Related Compounds

ethyl 2-[(2-ethoxy-2-oxoethyl)-[4-[[3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]benzoyl]amino]acetate
CID 23551525
1-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-3-(methylsulfanylmethyl)benzimidazol-2-one
CID 23551428
1-[(4-methylphenyl)methyl]-3-[[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one
CID 23551371
ethyl 2-(3-hydroxy-2-oxobenzimidazol-1-yl)acetate
CID 121354507
ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate
CID 10376688
ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate
CID 17000863
ethyl 4-[2-(fluoromethyl)benzimidazol-1-yl]butanoate
CID 155778339
ethyl 4-(1-propylbenzimidazol-2-yl)butanoate
CID 79754222
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
ethyl 5-[2-[[bis[[1-(5-ethoxy-5-oxopentyl)benzimidazol-2-yl]methyl]amino]methyl]benzimidazol-1-yl]pentanoate
CID 71311005
ethyl 4-[2-(chloromethyl)benzimidazol-1-yl]butanoate;hydrochloride
CID 162330589
ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate
CID 16644397

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-oxo-3-[[1-[2-(tetrazol-2-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-oxo-3-[[1-[2-(tetrazol-2-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]acetate (CID 23551517) is ethyl 2-[2-oxo-3-[[1-[2-(tetrazol-2-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-oxo-3-[[1-[2-(tetrazol-2-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-oxo-3-[[1-[2-(tetrazol-2-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]acetate is CCOC(=O)Cn1c(=O)n(Cc2nc3ccccc3n2CCn2ncnn2)c2ccccc21.
What is the InChIKey of ethyl 2-[2-oxo-3-[[1-[2-(tetrazol-2-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]acetate?
The InChIKey is ZVEYMHJKFMYKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O3/c1-2-33-21(31)14-29-19-10-6-5-9-18(19)28(22(29)32)13-20-25-16-7-3-4-8-17(16)27(20)11-12-30-24-15-23-26-30/h3-10,15H,2,11-14H2,1H3.
What are the key properties of ethyl 2-[2-oxo-3-[[1-[2-(tetrazol-2-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]acetate?
ethyl 2-[2-oxo-3-[[1-[2-(tetrazol-2-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]acetate has a molecular weight of 446.47 g/mol, XLogP of 1.45, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-oxo-3-[[1-[2-(tetrazol-2-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 23551517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).