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

C11H16N2O2 — CID 158911901

IUPACmethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate
SMILESC=C(C)c1nc(CCC)[nH]c1C(=O)OC
InChIInChI=1S/C11H16N2O2/c1-5-6-8-12-9(7(2)3)10(13-8)11(14)15-4/h2,5-6H2,1,3-4H3,(H,12,13)
InChIKeyZWZLAQLKNVPCCV-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.18
Rot. Bonds4

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

methyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate (PubChem CID 158911901) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate
PubChem CID158911901
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate
SMILESC=C(C)c1nc(CCC)[nH]c1C(=O)OC
InChIInChI=1S/C11H16N2O2/c1-5-6-8-12-9(7(2)3)10(13-8)11(14)15-4/h2,5-6H2,1,3-4H3,(H,12,13)
InChIKeyZWZLAQLKNVPCCV-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
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
Methyl 5-(pentafluoroethyl)-2-propyl-1H-imidazole-4-carboxylate
CID 11000624
4-[(3E)-hexa-1,3,5-trien-3-yl]-2-(trifluoromethyl)-1H-imidazole-5-carboxylic acid
CID 144527829
ethyl 5-ethyl-2-[(Z)-[(E)-2-(trifluoromethyl)but-2-enylidene]amino]-1H-imidazole-4-carboxylate
CID 171534341
Ethyl 5-cyclopropyl-2-ethyl-1H-imidazole-4-carboxylate
CID 10375777
ethyl 4-acetyl-2-propyl-1H-imidazole-5-carboxylate
CID 10513320
Ethyl 4-(prop-1-en-2-yl)-2-propyl-1H-imidazole-5-carboxylate
CID 10585136
Ethyl 4-(1-hydroxyethyl)-2-propylimidazole-5-carboxylate
CID 10609292
ethyl 5-propan-2-yl-2-propyl-1H-imidazole-4-carboxylate
CID 10727861

Frequently Asked Questions

What is the IUPAC name of methyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate (CID 158911901) is methyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate is C=C(C)c1nc(CCC)[nH]c1C(=O)OC.
What is the InChIKey of methyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate?
The InChIKey is ZWZLAQLKNVPCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-5-6-8-12-9(7(2)3)10(13-8)11(14)15-4/h2,5-6H2,1,3-4H3,(H,12,13).
What are the key properties of methyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate?
methyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 158911901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).