ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate

C18H23N3O5 — CID 1206883

IUPACethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
SMILESCCOC(=O)Cc1nc(C(=O)OCC)c(N)n1Cc1ccc(OC)cc1
InChIInChI=1S/C18H23N3O5/c1-4-25-15(22)10-14-20-16(18(23)26-5-2)17(19)21(14)11-12-6-8-13(24-3)9-7-12/h6-9H,4-5,10-11,19H2,1-3H3
InChIKeyNXXDWGZFBUZOGS-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.80
Rot. Bonds8

About ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate

ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate (PubChem CID 1206883) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
PubChem CID1206883
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Nameethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
SMILESCCOC(=O)Cc1nc(C(=O)OCC)c(N)n1Cc1ccc(OC)cc1
InChIInChI=1S/C18H23N3O5/c1-4-25-15(22)10-14-20-16(18(23)26-5-2)17(19)21(14)11-12-6-8-13(24-3)9-7-12/h6-9H,4-5,10-11,19H2,1-3H3
InChIKeyNXXDWGZFBUZOGS-UHFFFAOYSA-N
XLogP1.80
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 12666140
methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate
CID 103544322
ethyl 5-amino-2-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazole-4-carboxylate
CID 62993710
ethyl 5-iodo-2-[(4-methoxyphenyl)methyl]-1-methylimidazole-4-carboxylate
CID 171514554
methyl 5-amino-2-ethyl-1-[(6-methoxy-3-pyridinyl)methyl]imidazole-4-carboxylate
CID 103545427
ethyl 5-amino-4-chloro-1-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 112707174
methyl 5-amino-1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylimidazole-4-carboxylate
CID 103545352
ethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
CID 63302991
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate
CID 103545625
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate
CID 86744180

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate (CID 1206883) is ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate is CCOC(=O)Cc1nc(C(=O)OCC)c(N)n1Cc1ccc(OC)cc1.
What is the InChIKey of ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate?
The InChIKey is NXXDWGZFBUZOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-4-25-15(22)10-14-20-16(18(23)26-5-2)17(19)21(14)11-12-6-8-13(24-3)9-7-12/h6-9H,4-5,10-11,19H2,1-3H3.
What are the key properties of ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate?
ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate has a molecular weight of 361.40 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate is sourced from PubChem (CID 1206883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).