ethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate

C13H19N5O2 — CID 65232235

IUPACethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(CCc2cnc[nH]2)c1N
InChIInChI=1S/C13H19N5O2/c1-3-10-17-11(13(19)20-4-2)12(14)18(10)6-5-9-7-15-8-16-9/h7-8H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyHUOQMADHKWGXQC-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.17
Rot. Bonds6

About ethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate

ethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate (PubChem CID 65232235) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is ethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate
PubChem CID65232235
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Nameethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(CCc2cnc[nH]2)c1N
InChIInChI=1S/C13H19N5O2/c1-3-10-17-11(13(19)20-4-2)12(14)18(10)6-5-9-7-15-8-16-9/h7-8H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyHUOQMADHKWGXQC-UHFFFAOYSA-N
XLogP1.17
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate (CID 65232235) is ethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate is CCOC(=O)c1nc(CC)n(CCc2cnc[nH]2)c1N.
What is the InChIKey of ethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate?
The InChIKey is HUOQMADHKWGXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-3-10-17-11(13(19)20-4-2)12(14)18(10)6-5-9-7-15-8-16-9/h7-8H,3-6,14H2,1-2H3,(H,15,16).
What are the key properties of ethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate?
ethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate has a molecular weight of 277.33 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate is sourced from PubChem (CID 65232235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).