ethyl 2-methyl-5-(2-methylcyclopropyl)-1H-imidazole-4-carboxylate

C11H16N2O2 — CID 46941558

IUPACethyl 2-methyl-5-(2-methylcyclopropyl)-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)[nH]c1C1CC1C
InChIInChI=1S/C11H16N2O2/c1-4-15-11(14)10-9(8-5-6(8)2)12-7(3)13-10/h6,8H,4-5H2,1-3H3,(H,12,13)
InChIKeyGQNIWBMKBWLDTC-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.02
Rot. Bonds3

About ethyl 2-methyl-5-(2-methylcyclopropyl)-1H-imidazole-4-carboxylate

ethyl 2-methyl-5-(2-methylcyclopropyl)-1H-imidazole-4-carboxylate (PubChem CID 46941558) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 2-methyl-5-(2-methylcyclopropyl)-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-(2-methylcyclopropyl)-1H-imidazole-4-carboxylate
PubChem CID46941558
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl 2-methyl-5-(2-methylcyclopropyl)-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)[nH]c1C1CC1C
InChIInChI=1S/C11H16N2O2/c1-4-15-11(14)10-9(8-5-6(8)2)12-7(3)13-10/h6,8H,4-5H2,1-3H3,(H,12,13)
InChIKeyGQNIWBMKBWLDTC-UHFFFAOYSA-N
XLogP2.02
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
CID 136655437
ethyl 2,5-dimethyl-1H-imidazole-4-carboxylate;thionyl dichloride
CID 129032483
ethyl 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738097
ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1,2,4-oxadiazole-3-carboxylate
CID 95380682
ethyl 2-methyl-5-tridecyl-1H-imidazole-4-carboxylate
CID 59079325
ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate
CID 171800759
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 5-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazole-4-carboxylate
CID 116526089
CID 177047247
CID 177047247
ethyl (6S)-6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate
CID 26599216
methyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 115422925
ethane;ethyl 5-cyclopropyl-4-methyl-1H-pyrazole-3-carboxylate
CID 166528664

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-(2-methylcyclopropyl)-1H-imidazole-4-carboxylate?
The IUPAC name of ethyl 2-methyl-5-(2-methylcyclopropyl)-1H-imidazole-4-carboxylate (CID 46941558) is ethyl 2-methyl-5-(2-methylcyclopropyl)-1H-imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-(2-methylcyclopropyl)-1H-imidazole-4-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-(2-methylcyclopropyl)-1H-imidazole-4-carboxylate is CCOC(=O)c1nc(C)[nH]c1C1CC1C.
What is the InChIKey of ethyl 2-methyl-5-(2-methylcyclopropyl)-1H-imidazole-4-carboxylate?
The InChIKey is GQNIWBMKBWLDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-15-11(14)10-9(8-5-6(8)2)12-7(3)13-10/h6,8H,4-5H2,1-3H3,(H,12,13).
What are the key properties of ethyl 2-methyl-5-(2-methylcyclopropyl)-1H-imidazole-4-carboxylate?
ethyl 2-methyl-5-(2-methylcyclopropyl)-1H-imidazole-4-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-(2-methylcyclopropyl)-1H-imidazole-4-carboxylate is sourced from PubChem (CID 46941558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).