2-(4-fluorocyclohexa-2,4-dien-1-yl)-4H-imidazole

C9H9FN2 — CID 89198240

IUPAC2-(4-fluorocyclohexa-2,4-dien-1-yl)-4H-imidazole
SMILESFC1=CCC(C2=NCC=N2)C=C1
InChIInChI=1S/C9H9FN2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1,3-5,7H,2,6H2
InChIKeyNKDBNZMHELMPRX-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.90
Rot. Bonds1

About 2-(4-fluorocyclohexa-2,4-dien-1-yl)-4H-imidazole

2-(4-fluorocyclohexa-2,4-dien-1-yl)-4H-imidazole (PubChem CID 89198240) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-(4-fluorocyclohexa-2,4-dien-1-yl)-4H-imidazole.

Molecular Properties

Compound Name2-(4-fluorocyclohexa-2,4-dien-1-yl)-4H-imidazole
PubChem CID89198240
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name2-(4-fluorocyclohexa-2,4-dien-1-yl)-4H-imidazole
SMILESFC1=CCC(C2=NCC=N2)C=C1
InChIInChI=1S/C9H9FN2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1,3-5,7H,2,6H2
InChIKeyNKDBNZMHELMPRX-UHFFFAOYSA-N
XLogP1.90
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexa-2,4-dien-1-yl)-4H-imidazole?
The IUPAC name of 2-(4-fluorocyclohexa-2,4-dien-1-yl)-4H-imidazole (CID 89198240) is 2-(4-fluorocyclohexa-2,4-dien-1-yl)-4H-imidazole.
What is the SMILES notation for 2-(4-fluorocyclohexa-2,4-dien-1-yl)-4H-imidazole?
The canonical SMILES for 2-(4-fluorocyclohexa-2,4-dien-1-yl)-4H-imidazole is FC1=CCC(C2=NCC=N2)C=C1.
What is the InChIKey of 2-(4-fluorocyclohexa-2,4-dien-1-yl)-4H-imidazole?
The InChIKey is NKDBNZMHELMPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1,3-5,7H,2,6H2.
What are the key properties of 2-(4-fluorocyclohexa-2,4-dien-1-yl)-4H-imidazole?
2-(4-fluorocyclohexa-2,4-dien-1-yl)-4H-imidazole has a molecular weight of 164.18 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexa-2,4-dien-1-yl)-4H-imidazole is sourced from PubChem (CID 89198240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).