ethyl 2-[4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-yl]acetate

C13H18N2O2 — CID 142127930

IUPACethyl 2-[4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-yl]acetate
SMILESC/C=C\c1nc(CC(=O)OCC)[nH]c1/C=C\C
InChIInChI=1S/C13H18N2O2/c1-4-7-10-11(8-5-2)15-12(14-10)9-13(16)17-6-3/h4-5,7-8H,6,9H2,1-3H3,(H,14,15)/b7-4-,8-5-
InChIKeyTVOBDSFIMGVUBP-IUNAMMOKSA-N
MW234.30 g/mol
LogP2.58
Rot. Bonds5

About ethyl 2-[4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-yl]acetate

ethyl 2-[4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-yl]acetate (PubChem CID 142127930) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl 2-[4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-yl]acetate
PubChem CID142127930
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethyl 2-[4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-yl]acetate
SMILESC/C=C\c1nc(CC(=O)OCC)[nH]c1/C=C\C
InChIInChI=1S/C13H18N2O2/c1-4-7-10-11(8-5-2)15-12(14-10)9-13(16)17-6-3/h4-5,7-8H,6,9H2,1-3H3,(H,14,15)/b7-4-,8-5-
InChIKeyTVOBDSFIMGVUBP-IUNAMMOKSA-N
XLogP2.58
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate
CID 79474241
ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate
CID 91082689
ethyl 2-(6-chloro-4-propyl-1H-imidazo[4,5-c]pyridin-2-yl)acetate
CID 176883473
ethyl 2-[6-chloro-4-(1-hydroxyethyl)-1H-benzimidazol-2-yl]acetate
CID 171504478
2,5-diethyl-4-[(Z)-prop-1-enyl]-1H-imidazole
CID 145471536
ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate
CID 7063845
ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate
CID 164562691
N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-amine
CID 166958141
N-[[4-[(E)-2-(4-fluorophenoxy)ethenyl]-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]ethanamine
CID 126490630
ethyl 2-(4-oxo-6-propyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate
CID 58334016
ethyl 2-[4-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate
CID 118249961
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-yl]acetate?
The IUPAC name of ethyl 2-[4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-yl]acetate (CID 142127930) is ethyl 2-[4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-yl]acetate is C/C=C\c1nc(CC(=O)OCC)[nH]c1/C=C\C.
What is the InChIKey of ethyl 2-[4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-yl]acetate?
The InChIKey is TVOBDSFIMGVUBP-IUNAMMOKSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-7-10-11(8-5-2)15-12(14-10)9-13(16)17-6-3/h4-5,7-8H,6,9H2,1-3H3,(H,14,15)/b7-4-,8-5-.
What are the key properties of ethyl 2-[4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-yl]acetate?
ethyl 2-[4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-yl]acetate has a molecular weight of 234.30 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-yl]acetate is sourced from PubChem (CID 142127930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).