ethyl 1-(2-chlorophenyl)-5-[(E)-2-methoxyethenyl]-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate

C20H23ClN2O3 — CID 142992081

IUPACethyl 1-(2-chlorophenyl)-5-[(E)-2-methoxyethenyl]-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate
SMILESC/C=C\C(C)c1nc(C(=O)OCC)c(/C=C/OC)n1-c1ccccc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-5-9-14(3)19-22-18(20(24)26-6-2)17(12-13-25-4)23(19)16-11-8-7-10-15(16)21/h5,7-14H,6H2,1-4H3/b9-5-,13-12+
InChIKeyAARJXHBITTZWNX-CBWXWMMMSA-N
MW374.87 g/mol
LogP5.00
Rot. Bonds7

About ethyl 1-(2-chlorophenyl)-5-[(E)-2-methoxyethenyl]-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate

ethyl 1-(2-chlorophenyl)-5-[(E)-2-methoxyethenyl]-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate (PubChem CID 142992081) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is ethyl 1-(2-chlorophenyl)-5-[(E)-2-methoxyethenyl]-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-chlorophenyl)-5-[(E)-2-methoxyethenyl]-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate
PubChem CID142992081
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Nameethyl 1-(2-chlorophenyl)-5-[(E)-2-methoxyethenyl]-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate
SMILESC/C=C\C(C)c1nc(C(=O)OCC)c(/C=C/OC)n1-c1ccccc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-5-9-14(3)19-22-18(20(24)26-6-2)17(12-13-25-4)23(19)16-11-8-7-10-15(16)21/h5,7-14H,6H2,1-4H3/b9-5-,13-12+
InChIKeyAARJXHBITTZWNX-CBWXWMMMSA-N
XLogP5.00
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-chlorobut-2-ene;ethyl 2-but-3-en-2-yl-1-(2-chlorophenyl)-5-(2-oxoethyl)imidazole-4-carboxylate
CID 142954998
ethyl 5-amino-1-(2-chlorophenyl)pyrazole-4-carboxylate
CID 3376846
ethyl 4-benzyl-8-chloro-3-oxoquinoxaline-2-carboxylate
CID 177406428
ethyl 5-chloro-1-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethenyl)pyrazole-3-carboxylate
CID 140938976
ethyl 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazole-3-carboxylate
CID 58760952
ethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate
CID 66251247
ethyl 5-(chloromethyl)-1-[(2-chlorophenyl)methyl]triazole-4-carboxylate
CID 103109438
ethyl 5-amino-1-(3-chloro-2-fluorophenyl)triazole-4-carboxylate
CID 71255710
ethyl 3-(2-chlorophenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 14653307
ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987507
ethyl 1-(3-chloro-2-methylphenyl)-5-methyltriazole-4-carboxylate
CID 43836315
1-(2-chlorophenyl)-2,5-dimethylpyrrole
CID 4763653

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-chlorophenyl)-5-[(E)-2-methoxyethenyl]-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate?
The IUPAC name of ethyl 1-(2-chlorophenyl)-5-[(E)-2-methoxyethenyl]-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate (CID 142992081) is ethyl 1-(2-chlorophenyl)-5-[(E)-2-methoxyethenyl]-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-chlorophenyl)-5-[(E)-2-methoxyethenyl]-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2-chlorophenyl)-5-[(E)-2-methoxyethenyl]-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate is C/C=C\C(C)c1nc(C(=O)OCC)c(/C=C/OC)n1-c1ccccc1Cl.
What is the InChIKey of ethyl 1-(2-chlorophenyl)-5-[(E)-2-methoxyethenyl]-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate?
The InChIKey is AARJXHBITTZWNX-CBWXWMMMSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-5-9-14(3)19-22-18(20(24)26-6-2)17(12-13-25-4)23(19)16-11-8-7-10-15(16)21/h5,7-14H,6H2,1-4H3/b9-5-,13-12+.
What are the key properties of ethyl 1-(2-chlorophenyl)-5-[(E)-2-methoxyethenyl]-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate?
ethyl 1-(2-chlorophenyl)-5-[(E)-2-methoxyethenyl]-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate has a molecular weight of 374.87 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-chlorophenyl)-5-[(E)-2-methoxyethenyl]-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate is sourced from PubChem (CID 142992081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).