1-(4-fluorophenyl)imidazole-2-carbonitrile

C10H6FN3 — CID 84660888

IUPAC1-(4-fluorophenyl)imidazole-2-carbonitrile
SMILESN#Cc1nccn1-c1ccc(F)cc1
InChIInChI=1S/C10H6FN3/c11-8-1-3-9(4-2-8)14-6-5-13-10(14)7-12/h1-6H
InChIKeyDSDJVSTYKRHJFG-UHFFFAOYSA-N
MW187.18 g/mol
LogP1.88
Rot. Bonds1

About 1-(4-fluorophenyl)imidazole-2-carbonitrile

1-(4-fluorophenyl)imidazole-2-carbonitrile (PubChem CID 84660888) has the molecular formula C10H6FN3 and a molecular weight of 187.18 g/mol. Its IUPAC name is 1-(4-fluorophenyl)imidazole-2-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)imidazole-2-carbonitrile
PubChem CID84660888
Molecular FormulaC10H6FN3
Molecular Weight187.18 g/mol
Exact Mass187.05
IUPAC Name1-(4-fluorophenyl)imidazole-2-carbonitrile
SMILESN#Cc1nccn1-c1ccc(F)cc1
InChIInChI=1S/C10H6FN3/c11-8-1-3-9(4-2-8)14-6-5-13-10(14)7-12/h1-6H
InChIKeyDSDJVSTYKRHJFG-UHFFFAOYSA-N
XLogP1.88
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)imidazole-2-carbonitrile
CID 84671921
1-(2-amino-3,5-difluorophenyl)imidazole-2-carbonitrile
CID 115507228
3-chloro-1-(4-fluorophenyl)pyrazin-2-one
CID 67221416
1-(4-fluorophenyl)-3-methylpyrazin-2-one
CID 163969360
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol
CID 82129775
1-(3,5-difluoro-2-nitrophenyl)imidazole-2-carbonitrile
CID 115509936
1-imidazo[1,2-a]pyridin-5-ylimidazole-2-carbonitrile
CID 102627004
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)imidazole-2-carbonitrile
CID 137008254
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063705
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 82131580
2-[(2S)-3,3-dimethylazetidin-2-yl]-1-(4-fluorophenyl)imidazole
CID 125449065
1-[4-(aminomethyl)-2-chlorophenyl]imidazole-2-carbonitrile
CID 81155464

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)imidazole-2-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)imidazole-2-carbonitrile (CID 84660888) is 1-(4-fluorophenyl)imidazole-2-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)imidazole-2-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)imidazole-2-carbonitrile is N#Cc1nccn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)imidazole-2-carbonitrile?
The InChIKey is DSDJVSTYKRHJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3/c11-8-1-3-9(4-2-8)14-6-5-13-10(14)7-12/h1-6H.
What are the key properties of 1-(4-fluorophenyl)imidazole-2-carbonitrile?
1-(4-fluorophenyl)imidazole-2-carbonitrile has a molecular weight of 187.18 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)imidazole-2-carbonitrile is sourced from PubChem (CID 84660888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).