methyl 5-amino-2-ethyl-1-(1-thiophen-2-ylbutyl)imidazole-4-carboxylate

C15H21N3O2S — CID 103544931

IUPACmethyl 5-amino-2-ethyl-1-(1-thiophen-2-ylbutyl)imidazole-4-carboxylate
SMILESCCCC(c1cccs1)n1c(CC)nc(C(=O)OC)c1N
InChIInChI=1S/C15H21N3O2S/c1-4-7-10(11-8-6-9-21-11)18-12(5-2)17-13(14(18)16)15(19)20-3/h6,8-10H,4-5,7,16H2,1-3H3
InChIKeyAEZRNMNIGOZFFT-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.27
Rot. Bonds6

About methyl 5-amino-2-ethyl-1-(1-thiophen-2-ylbutyl)imidazole-4-carboxylate

methyl 5-amino-2-ethyl-1-(1-thiophen-2-ylbutyl)imidazole-4-carboxylate (PubChem CID 103544931) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is methyl 5-amino-2-ethyl-1-(1-thiophen-2-ylbutyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-ethyl-1-(1-thiophen-2-ylbutyl)imidazole-4-carboxylate
PubChem CID103544931
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Namemethyl 5-amino-2-ethyl-1-(1-thiophen-2-ylbutyl)imidazole-4-carboxylate
SMILESCCCC(c1cccs1)n1c(CC)nc(C(=O)OC)c1N
InChIInChI=1S/C15H21N3O2S/c1-4-7-10(11-8-6-9-21-11)18-12(5-2)17-13(14(18)16)15(19)20-3/h6,8-10H,4-5,7,16H2,1-3H3
InChIKeyAEZRNMNIGOZFFT-UHFFFAOYSA-N
XLogP3.27
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-2-ethyl-1-(1-phenylpropan-2-yl)imidazole-4-carboxylate
CID 103545438
methyl 5-amino-2-ethyl-1-[1-(4-methylphenyl)ethyl]imidazole-4-carboxylate
CID 103545065
methyl 5-amino-1-[1-(4-chlorophenyl)ethyl]-2-ethylimidazole-4-carboxylate
CID 103544994
7-methyl-3-(1-thiophen-2-ylbutyl)imidazo[4,5-b]pyridin-2-amine
CID 79288597
methyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate
CID 167489425
methyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate
CID 114405921
methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate
CID 103545625
methyl 5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylimidazole-4-carboxylate
CID 103545187
ethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate
CID 62844226
methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate
CID 103544311
2-(chloromethyl)-6-fluoro-1-(1-thiophen-2-ylbutyl)benzimidazole
CID 62378429
4-ethyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione
CID 81336128

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-ethyl-1-(1-thiophen-2-ylbutyl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-ethyl-1-(1-thiophen-2-ylbutyl)imidazole-4-carboxylate (CID 103544931) is methyl 5-amino-2-ethyl-1-(1-thiophen-2-ylbutyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-ethyl-1-(1-thiophen-2-ylbutyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-ethyl-1-(1-thiophen-2-ylbutyl)imidazole-4-carboxylate is CCCC(c1cccs1)n1c(CC)nc(C(=O)OC)c1N.
What is the InChIKey of methyl 5-amino-2-ethyl-1-(1-thiophen-2-ylbutyl)imidazole-4-carboxylate?
The InChIKey is AEZRNMNIGOZFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-7-10(11-8-6-9-21-11)18-12(5-2)17-13(14(18)16)15(19)20-3/h6,8-10H,4-5,7,16H2,1-3H3.
What are the key properties of methyl 5-amino-2-ethyl-1-(1-thiophen-2-ylbutyl)imidazole-4-carboxylate?
methyl 5-amino-2-ethyl-1-(1-thiophen-2-ylbutyl)imidazole-4-carboxylate has a molecular weight of 307.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-ethyl-1-(1-thiophen-2-ylbutyl)imidazole-4-carboxylate is sourced from PubChem (CID 103544931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).