ethyl 5-cyclopropyl-2-ethyl-1H-imidazole-4-carboxylate

C11H16N2O2 — CID 10375777

IUPACethyl 5-cyclopropyl-2-ethyl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)[nH]c1C1CC1
InChIInChI=1S/C11H16N2O2/c1-3-8-12-9(7-5-6-7)10(13-8)11(14)15-4-2/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyCKXBRHCQVARMBF-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.03
Rot. Bonds4

About ethyl 5-cyclopropyl-2-ethyl-1H-imidazole-4-carboxylate

ethyl 5-cyclopropyl-2-ethyl-1H-imidazole-4-carboxylate (PubChem CID 10375777) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-2-ethyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-2-ethyl-1H-imidazole-4-carboxylate
PubChem CID10375777
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl 5-cyclopropyl-2-ethyl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)[nH]c1C1CC1
InChIInChI=1S/C11H16N2O2/c1-3-8-12-9(7-5-6-7)10(13-8)11(14)15-4-2/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyCKXBRHCQVARMBF-UHFFFAOYSA-N
XLogP2.03
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate
CID 10562026
2,5-diisopropyl-1H-imidazole-4-carboxylic acid
CID 3011558
ethyl 2-bromo-5-cyclopropyl-1H-imidazole-4-carboxylate
CID 125042010
ethyl 2-amino-4-ethyl-1H-imidazole-5-carboxylate
CID 137963877
ethyl 2,5-dicyclohexyl-1H-imidazole-4-carboxylate
CID 3006262
ethyl 2,5-dicyclopentyl-1H-imidazole-4-carboxylate
CID 3006264
ethyl 2,5-ditert-butyl-1H-imidazole-4-carboxylate
CID 3006267
ethyl 2,5-diisopropyl-1H-imidazole-4-carboxylate
CID 3006269
ethyl 5-propyl-1H-imidazole-4-carboxylate
CID 13548611
Ethyl 2-amino-5-isobutyl-1H-imidazole-4-carboxylate
CID 168352881
Ethyl 2-amino-5-neopentyl-1H-imidazole-4-carboxylate
CID 168352883
Methyl 5-(pentafluoroethyl)-2-propyl-1H-imidazole-4-carboxylate
CID 11000624

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-2-ethyl-1H-imidazole-4-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-2-ethyl-1H-imidazole-4-carboxylate (CID 10375777) is ethyl 5-cyclopropyl-2-ethyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-2-ethyl-1H-imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-2-ethyl-1H-imidazole-4-carboxylate is CCOC(=O)c1nc(CC)[nH]c1C1CC1.
What is the InChIKey of ethyl 5-cyclopropyl-2-ethyl-1H-imidazole-4-carboxylate?
The InChIKey is CKXBRHCQVARMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-8-12-9(7-5-6-7)10(13-8)11(14)15-4-2/h7H,3-6H2,1-2H3,(H,12,13).
What are the key properties of ethyl 5-cyclopropyl-2-ethyl-1H-imidazole-4-carboxylate?
ethyl 5-cyclopropyl-2-ethyl-1H-imidazole-4-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-2-ethyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 10375777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).