2-(3-chloro-2,4-difluorophenyl)-1-prop-2-enylimidazole

C12H9ClF2N2 — CID 56878569

IUPAC2-(3-chloro-2,4-difluorophenyl)-1-prop-2-enylimidazole
SMILESC=CCn1ccnc1-c1ccc(F)c(Cl)c1F
InChIInChI=1S/C12H9ClF2N2/c1-2-6-17-7-5-16-12(17)8-3-4-9(14)10(13)11(8)15/h2-5,7H,1,6H2
InChIKeyRXJOCVZIJIUUKW-UHFFFAOYSA-N
MW254.67 g/mol
LogP3.67
Rot. Bonds3

About 2-(3-chloro-2,4-difluorophenyl)-1-prop-2-enylimidazole

2-(3-chloro-2,4-difluorophenyl)-1-prop-2-enylimidazole (PubChem CID 56878569) has the molecular formula C12H9ClF2N2 and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-(3-chloro-2,4-difluorophenyl)-1-prop-2-enylimidazole.

Molecular Properties

Compound Name2-(3-chloro-2,4-difluorophenyl)-1-prop-2-enylimidazole
PubChem CID56878569
Molecular FormulaC12H9ClF2N2
Molecular Weight254.67 g/mol
Exact Mass254.04
IUPAC Name2-(3-chloro-2,4-difluorophenyl)-1-prop-2-enylimidazole
SMILESC=CCn1ccnc1-c1ccc(F)c(Cl)c1F
InChIInChI=1S/C12H9ClF2N2/c1-2-6-17-7-5-16-12(17)8-3-4-9(14)10(13)11(8)15/h2-5,7H,1,6H2
InChIKeyRXJOCVZIJIUUKW-UHFFFAOYSA-N
XLogP3.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,4-difluorophenyl)-1-prop-2-enylimidazole?
The IUPAC name of 2-(3-chloro-2,4-difluorophenyl)-1-prop-2-enylimidazole (CID 56878569) is 2-(3-chloro-2,4-difluorophenyl)-1-prop-2-enylimidazole.
What is the SMILES notation for 2-(3-chloro-2,4-difluorophenyl)-1-prop-2-enylimidazole?
The canonical SMILES for 2-(3-chloro-2,4-difluorophenyl)-1-prop-2-enylimidazole is C=CCn1ccnc1-c1ccc(F)c(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2,4-difluorophenyl)-1-prop-2-enylimidazole?
The InChIKey is RXJOCVZIJIUUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2/c1-2-6-17-7-5-16-12(17)8-3-4-9(14)10(13)11(8)15/h2-5,7H,1,6H2.
What are the key properties of 2-(3-chloro-2,4-difluorophenyl)-1-prop-2-enylimidazole?
2-(3-chloro-2,4-difluorophenyl)-1-prop-2-enylimidazole has a molecular weight of 254.67 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,4-difluorophenyl)-1-prop-2-enylimidazole is sourced from PubChem (CID 56878569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).