2-[(2-chloro-6-fluorophenyl)-(cyclohexen-1-yl)methyl]-1H-imidazole

C16H16ClFN2 — CID 70390406

IUPAC2-[(2-chloro-6-fluorophenyl)-(cyclohexen-1-yl)methyl]-1H-imidazole
SMILESFc1cccc(Cl)c1C(C1=CCCCC1)c1ncc[nH]1
InChIInChI=1S/C16H16ClFN2/c17-12-7-4-8-13(18)15(12)14(16-19-9-10-20-16)11-5-2-1-3-6-11/h4-5,7-10,14H,1-3,6H2,(H,19,20)
InChIKeySHORTSKVYUJAIE-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.83
Rot. Bonds3

About 2-[(2-chloro-6-fluorophenyl)-(cyclohexen-1-yl)methyl]-1H-imidazole

2-[(2-chloro-6-fluorophenyl)-(cyclohexen-1-yl)methyl]-1H-imidazole (PubChem CID 70390406) has the molecular formula C16H16ClFN2 and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)-(cyclohexen-1-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)-(cyclohexen-1-yl)methyl]-1H-imidazole
PubChem CID70390406
Molecular FormulaC16H16ClFN2
Molecular Weight290.77 g/mol
Exact Mass290.10
IUPAC Name2-[(2-chloro-6-fluorophenyl)-(cyclohexen-1-yl)methyl]-1H-imidazole
SMILESFc1cccc(Cl)c1C(C1=CCCCC1)c1ncc[nH]1
InChIInChI=1S/C16H16ClFN2/c17-12-7-4-8-13(18)15(12)14(16-19-9-10-20-16)11-5-2-1-3-6-11/h4-5,7-10,14H,1-3,6H2,(H,19,20)
InChIKeySHORTSKVYUJAIE-UHFFFAOYSA-N
XLogP4.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-[(2-chloro-6-fluorophenyl)-(cyclohexen-1-yl)methyl]-1H-imidazole?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)-(cyclohexen-1-yl)methyl]-1H-imidazole (CID 70390406) is 2-[(2-chloro-6-fluorophenyl)-(cyclohexen-1-yl)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)-(cyclohexen-1-yl)methyl]-1H-imidazole?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)-(cyclohexen-1-yl)methyl]-1H-imidazole is Fc1cccc(Cl)c1C(C1=CCCCC1)c1ncc[nH]1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)-(cyclohexen-1-yl)methyl]-1H-imidazole?
The InChIKey is SHORTSKVYUJAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2/c17-12-7-4-8-13(18)15(12)14(16-19-9-10-20-16)11-5-2-1-3-6-11/h4-5,7-10,14H,1-3,6H2,(H,19,20).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)-(cyclohexen-1-yl)methyl]-1H-imidazole?
2-[(2-chloro-6-fluorophenyl)-(cyclohexen-1-yl)methyl]-1H-imidazole has a molecular weight of 290.77 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)-(cyclohexen-1-yl)methyl]-1H-imidazole is sourced from PubChem (CID 70390406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).