ethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate

C13H17N3O4 — CID 61328180

IUPACethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate
SMILESCCOC(=O)COCC(N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O4/c1-2-20-12(17)7-19-6-9(14)8-3-4-10-11(5-8)16-13(18)15-10/h3-5,9H,2,6-7,14H2,1H3,(H2,15,16,18)
InChIKeyPOSOYNNCFNCUPL-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.44
Rot. Bonds6

About ethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate

ethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate (PubChem CID 61328180) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is ethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate
PubChem CID61328180
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Nameethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate
SMILESCCOC(=O)COCC(N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O4/c1-2-20-12(17)7-19-6-9(14)8-3-4-10-11(5-8)16-13(18)15-10/h3-5,9H,2,6-7,14H2,1H3,(H2,15,16,18)
InChIKeyPOSOYNNCFNCUPL-UHFFFAOYSA-N
XLogP0.44
TPSA110.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate
CID 61328772
ethyl 2-[2-amino-2-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate
CID 62374568
ethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate
CID 153439532
4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 65298571
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993
5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 43186846
5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 62933664
5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide
CID 62935017
6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid
CID 43446952
ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate
CID 61327208
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate
CID 61328764

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate (CID 61328180) is ethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate is CCOC(=O)COCC(N)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of ethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate?
The InChIKey is POSOYNNCFNCUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-2-20-12(17)7-19-6-9(14)8-3-4-10-11(5-8)16-13(18)15-10/h3-5,9H,2,6-7,14H2,1H3,(H2,15,16,18).
What are the key properties of ethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate?
ethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate has a molecular weight of 279.30 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate is sourced from PubChem (CID 61328180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).