1-(4-Fluorophenyl)imidazole

C9H7FN2 — CID 140833

IUPAC1-(4-fluorophenyl)imidazole
SMILESC1=CC(=CC=C1N2C=CN=C2)F
InChIInChI=1S/C9H7FN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
InChIKeyKKKSMWMXKUAZHK-UHFFFAOYSA-N
MW162.16 g/mol
LogP1.80
Rot. Bonds1

About 1-(4-Fluorophenyl)imidazole

1-(4-Fluorophenyl)imidazole (PubChem CID 140833) has the molecular formula C9H7FN2 and a molecular weight of 162.16 g/mol. Its IUPAC name is 1-(4-fluorophenyl)imidazole.

Molecular Properties

Compound Name1-(4-Fluorophenyl)imidazole
PubChem CID140833
Molecular FormulaC9H7FN2
Molecular Weight162.16 g/mol
Exact Mass162.06
IUPAC Name1-(4-fluorophenyl)imidazole
SMILESC1=CC(=CC=C1N2C=CN=C2)F
InChIInChI=1S/C9H7FN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
InChIKeyKKKSMWMXKUAZHK-UHFFFAOYSA-N
XLogP1.80
TPSA17.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity143

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Trim
CID 1359
1-Phenylimidazole
CID 81595
1-(4-Chlorophenyl)-1H-imidazole
CID 142859
4-(1H-imidazol-1-yl)aniline
CID 320165
4-(2-methyl-1H-imidazol-1-yl)aniline
CID 3157478
3-(1H-Imidazol-1-ylmethyl)aniline
CID 6481821
1-(4-Nitrophenyl)-1H-imidazole
CID 123155
1-(4-Aminobenzyl)-1H-imidazole
CID 1265319
1-(3-Chlorophenyl)-1H-imidazole
CID 99349
Imidazo(1,5-a)pyridine
CID 274090
1-(4-fluorobenzyl)-1H-imidazole
CID 12229388
3-(2-Methyl-1H-imidazol-1-yl)pyridine
CID 16654686

Frequently Asked Questions

What is the IUPAC name of 1-(4-Fluorophenyl)imidazole?
The IUPAC name of 1-(4-Fluorophenyl)imidazole (CID 140833) is 1-(4-fluorophenyl)imidazole.
What is the SMILES notation for 1-(4-Fluorophenyl)imidazole?
The canonical SMILES for 1-(4-Fluorophenyl)imidazole is C1=CC(=CC=C1N2C=CN=C2)F.
What is the InChIKey of 1-(4-Fluorophenyl)imidazole?
The InChIKey is KKKSMWMXKUAZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H.
What are the key properties of 1-(4-Fluorophenyl)imidazole?
1-(4-Fluorophenyl)imidazole has a molecular weight of 162.16 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-Fluorophenyl)imidazole is sourced from PubChem (CID 140833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).