1-[(2R)-2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole

C14H14Cl2N2O — CID 6604394

IUPAC1-[(2R)-2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole
SMILESC=CCO[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2/t14-/m0/s1
InChIKeyPZBPKYOVPCNPJY-AWEZNQCLSA-N
MW297.19 g/mol
LogP4.13
Rot. Bonds6

About 1-[(2R)-2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole

1-[(2R)-2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole (PubChem CID 6604394) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-[(2R)-2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole.

Molecular Properties

Compound Name1-[(2R)-2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole
PubChem CID6604394
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name1-[(2R)-2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole
SMILESC=CCO[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2/t14-/m0/s1
InChIKeyPZBPKYOVPCNPJY-AWEZNQCLSA-N
XLogP4.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole?
The IUPAC name of 1-[(2R)-2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole (CID 6604394) is 1-[(2R)-2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole.
What is the SMILES notation for 1-[(2R)-2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole?
The canonical SMILES for 1-[(2R)-2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole is C=CCO[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2R)-2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole?
The InChIKey is PZBPKYOVPCNPJY-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2/t14-/m0/s1.
What are the key properties of 1-[(2R)-2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole?
1-[(2R)-2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole has a molecular weight of 297.19 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole is sourced from PubChem (CID 6604394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).