ethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate

C15H15ClN2O2 — CID 47393873

IUPACethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate
SMILESCCOC(=O)C(=Cc1ccccc1Cl)c1nccn1C
InChIInChI=1S/C15H15ClN2O2/c1-3-20-15(19)12(14-17-8-9-18(14)2)10-11-6-4-5-7-13(11)16/h4-10H,3H2,1-2H3
InChIKeyYILBEGOQGWRLMV-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.18
Rot. Bonds4

About ethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate

ethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate (PubChem CID 47393873) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is ethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate
PubChem CID47393873
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Nameethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate
SMILESCCOC(=O)C(=Cc1ccccc1Cl)c1nccn1C
InChIInChI=1S/C15H15ClN2O2/c1-3-20-15(19)12(14-17-8-9-18(14)2)10-11-6-4-5-7-13(11)16/h4-10H,3H2,1-2H3
InChIKeyYILBEGOQGWRLMV-UHFFFAOYSA-N
XLogP3.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(1-methylimidazol-2-yl)-3-(4-methylphenyl)prop-2-enoate
CID 47393875
ethyl (Z)-3-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate
CID 95172250
ethyl (E)-2-(1-methylimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enoate
CID 51093292
methyl 4-[(E)-3-ethoxy-2-(1-methylimidazol-2-yl)-3-oxoprop-1-enyl]benzoate
CID 51093301
methyl 4-[(Z)-3-ethoxy-2-(1-methylimidazol-2-yl)-3-oxoprop-1-enyl]benzoate
CID 95172253
ethyl (Z)-2-chloro-3-(2-chlorophenyl)prop-2-enoate
CID 13428145
ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate
CID 101333146
ethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate
CID 74935582
ethyl (E)-4-(2-chlorophenyl)-2-oxobut-3-enoate
CID 53386631
ethyl 2-(1-benzylimidazol-2-yl)-3-(4-propoxyphenyl)prop-2-enoate
CID 76870186
ethyl 3-(2-chloro-3-pyridinyl)-2-(4-fluorophenyl)prop-2-enoate
CID 86633274
ethyl 3-(1-methylimidazol-2-yl)-3-oxopropanoate
CID 58066133

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate (CID 47393873) is ethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate is CCOC(=O)C(=Cc1ccccc1Cl)c1nccn1C.
What is the InChIKey of ethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate?
The InChIKey is YILBEGOQGWRLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-3-20-15(19)12(14-17-8-9-18(14)2)10-11-6-4-5-7-13(11)16/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate?
ethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate has a molecular weight of 290.75 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate is sourced from PubChem (CID 47393873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).