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

C17H19ClN2O2 — CID 142955007

IUPACethyl 1-(4-chlorophenyl)-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate
SMILESC/C=C\C(C)c1nc(C(=O)OCC)cn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c1-4-6-12(3)16-19-15(17(21)22-5-2)11-20(16)14-9-7-13(18)8-10-14/h4,6-12H,5H2,1-3H3/b6-4-
InChIKeyCSYYYGDWNIGFKA-XQRVVYSFSA-N
MW318.80 g/mol
LogP4.38
Rot. Bonds5

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

ethyl 1-(4-chlorophenyl)-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate (PubChem CID 142955007) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is ethyl 1-(4-chlorophenyl)-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chlorophenyl)-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate
PubChem CID142955007
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Nameethyl 1-(4-chlorophenyl)-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate
SMILESC/C=C\C(C)c1nc(C(=O)OCC)cn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c1-4-6-12(3)16-19-15(17(21)22-5-2)11-20(16)14-9-7-13(18)8-10-14/h4,6-12H,5H2,1-3H3/b6-4-
InChIKeyCSYYYGDWNIGFKA-XQRVVYSFSA-N
XLogP4.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate
CID 11463589
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
ethyl 1-(4-chlorophenyl)pyrrole-2-carboxylate
CID 170871926
ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
CID 139926661
ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate
CID 177207575
ethyl 1-(2-chlorophenyl)-5-[(E)-2-methoxyethenyl]-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate
CID 142992081
ethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate
CID 67032137
ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate
CID 164852991
ethyl 1-phenyl-2-(trifluoromethyl)imidazole-4-carboxylate
CID 170628931
ethyl 6-chloro-5-fluoropyridine-2-carboxylate
CID 46311494
ethyl 2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 122476822
ethyl 2-(4-chlorophenyl)-5-methyltriazole-4-carboxylate
CID 50849373

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chlorophenyl)-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-chlorophenyl)-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate (CID 142955007) is ethyl 1-(4-chlorophenyl)-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-chlorophenyl)-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-chlorophenyl)-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate is C/C=C\C(C)c1nc(C(=O)OCC)cn1-c1ccc(Cl)cc1.
What is the InChIKey of ethyl 1-(4-chlorophenyl)-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate?
The InChIKey is CSYYYGDWNIGFKA-XQRVVYSFSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-4-6-12(3)16-19-15(17(21)22-5-2)11-20(16)14-9-7-13(18)8-10-14/h4,6-12H,5H2,1-3H3/b6-4-.
What are the key properties of ethyl 1-(4-chlorophenyl)-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate?
ethyl 1-(4-chlorophenyl)-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate has a molecular weight of 318.80 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-chlorophenyl)-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate is sourced from PubChem (CID 142955007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).