methyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate

C11H15N5O2 — CID 103545463

IUPACmethyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(Cc2nccn2C)c1N
InChIInChI=1S/C11H15N5O2/c1-7-14-9(11(17)18-3)10(12)16(7)6-8-13-4-5-15(8)2/h4-5H,6,12H2,1-3H3
InChIKeySOXWNGXHBNPEBT-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.34
Rot. Bonds3

About methyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate

methyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate (PubChem CID 103545463) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate
PubChem CID103545463
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Namemethyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(Cc2nccn2C)c1N
InChIInChI=1S/C11H15N5O2/c1-7-14-9(11(17)18-3)10(12)16(7)6-8-13-4-5-15(8)2/h4-5H,6,12H2,1-3H3
InChIKeySOXWNGXHBNPEBT-UHFFFAOYSA-N
XLogP0.34
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544391
methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate
CID 103545530
methyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate
CID 103545822
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544847
methyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate
CID 114162703
methyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 113307000
methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate
CID 106338365
methyl 4-[3-amino-5-cyano-1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]oxybenzoate
CID 100775025
methyl 5-amino-1-[2-(5-bromothiophen-2-yl)ethyl]-2-methylimidazole-4-carboxylate
CID 106039173
ethyl 2-fluoro-3-(1-methylimidazol-2-yl)propanoate
CID 79738546
ethyl 5-amino-2-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazole-4-carboxylate
CID 62993710
methyl 3-amino-4-[2-(1-methylimidazol-2-yl)ethoxy]benzoate
CID 114528693

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate (CID 103545463) is methyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate is COC(=O)c1nc(C)n(Cc2nccn2C)c1N.
What is the InChIKey of methyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate?
The InChIKey is SOXWNGXHBNPEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-7-14-9(11(17)18-3)10(12)16(7)6-8-13-4-5-15(8)2/h4-5H,6,12H2,1-3H3.
What are the key properties of methyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate?
methyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate is sourced from PubChem (CID 103545463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).