ethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate

C12H18N2O2 — CID 10585136

IUPACethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate
SMILESC=C(C)c1nc(CCC)[nH]c1C(=O)OCC
InChIInChI=1S/C12H18N2O2/c1-5-7-9-13-10(8(3)4)11(14-9)12(15)16-6-2/h3,5-7H2,1-2,4H3,(H,13,14)
InChIKeyIEJYWOUUSSOSKC-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.57
Rot. Bonds5

About ethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate

ethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate (PubChem CID 10585136) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is ethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate
PubChem CID10585136
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate
SMILESC=C(C)c1nc(CCC)[nH]c1C(=O)OCC
InChIInChI=1S/C12H18N2O2/c1-5-7-9-13-10(8(3)4)11(14-9)12(15)16-6-2/h3,5-7H2,1-2,4H3,(H,13,14)
InChIKeyIEJYWOUUSSOSKC-UHFFFAOYSA-N
XLogP2.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.57
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
ethyl 2-amino-4-ethyl-1H-imidazole-5-carboxylate
CID 137963877
ethyl 2,5-ditert-butyl-1H-imidazole-4-carboxylate
CID 3006267
ethyl 2,5-diisopropyl-1H-imidazole-4-carboxylate
CID 3006269
ethyl 5-ethyl-2-[(Z)-[(E)-2-(trifluoromethyl)but-2-enylidene]amino]-1H-imidazole-4-carboxylate
CID 171534341
Methyl 5-(pentafluoroethyl)-2-propyl-1H-imidazole-4-carboxylate
CID 11000624
Ethyl 5-cyclopropyl-2-ethyl-1H-imidazole-4-carboxylate
CID 10375777
Ethyl 2-butyl-4-(1-hydroxy-1-methylethyl)imidazole-5-carboxylate
CID 10491175
ethyl 4-acetyl-2-propyl-1H-imidazole-5-carboxylate
CID 10513320
Ethyl 4-(1-hydroxyethyl)-2-propylimidazole-5-carboxylate
CID 10609292
ethyl 5-propan-2-yl-2-propyl-1H-imidazole-4-carboxylate
CID 10727861
Ethyl 2-ethyl-4-(1-hydroxy-1-methylethyl)imidazole-5-carboxylate
CID 10823124

Frequently Asked Questions

What is the IUPAC name of ethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate (CID 10585136) is ethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate is C=C(C)c1nc(CCC)[nH]c1C(=O)OCC.
What is the InChIKey of ethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate?
The InChIKey is IEJYWOUUSSOSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-5-7-9-13-10(8(3)4)11(14-9)12(15)16-6-2/h3,5-7H2,1-2,4H3,(H,13,14).
What are the key properties of ethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate?
ethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate has a molecular weight of 222.29 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 10585136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).