methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate

C16H21N3O2 — CID 103545625

IUPACmethyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate
SMILESCCc1ccccc1Cn1c(CC)nc(C(=O)OC)c1N
InChIInChI=1S/C16H21N3O2/c1-4-11-8-6-7-9-12(11)10-19-13(5-2)18-14(15(19)17)16(20)21-3/h6-9H,4-5,10,17H2,1-3H3
InChIKeyOZCHBMTVELSZAL-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.42
Rot. Bonds5

About methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate

methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate (PubChem CID 103545625) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate
PubChem CID103545625
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namemethyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate
SMILESCCc1ccccc1Cn1c(CC)nc(C(=O)OC)c1N
InChIInChI=1S/C16H21N3O2/c1-4-11-8-6-7-9-12(11)10-19-13(5-2)18-14(15(19)17)16(20)21-3/h6-9H,4-5,10,17H2,1-3H3
InChIKeyOZCHBMTVELSZAL-UHFFFAOYSA-N
XLogP2.42
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate
CID 103544322
methyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate
CID 103545137
methyl 5-amino-2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazole-4-carboxylate
CID 106302530
methyl 5-amino-2-ethyl-1-[(6-methoxy-3-pyridinyl)methyl]imidazole-4-carboxylate
CID 103545427
methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate
CID 103544311
methyl 5-amino-1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylimidazole-4-carboxylate
CID 103545352
methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 103544613
methyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate
CID 106376263
methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate
CID 103544856
methyl 5-amino-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)imidazole-4-carboxylate
CID 106294832
methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate
CID 103546145
methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate
CID 103544811

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate (CID 103545625) is methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate is CCc1ccccc1Cn1c(CC)nc(C(=O)OC)c1N.
What is the InChIKey of methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate?
The InChIKey is OZCHBMTVELSZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-11-8-6-7-9-12(11)10-19-13(5-2)18-14(15(19)17)16(20)21-3/h6-9H,4-5,10,17H2,1-3H3.
What are the key properties of methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate?
methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate is sourced from PubChem (CID 103545625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).