5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazole

C10H9FN2 — CID 123734691

IUPAC5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazole
SMILESFC1=CC=C(c2cnc[nH]2)CC=C1
InChIInChI=1S/C10H9FN2/c11-9-3-1-2-8(4-5-9)10-6-12-7-13-10/h1,3-7H,2H2,(H,12,13)
InChIKeyGSHHQKMNUXGLNL-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.61
Rot. Bonds1

About 5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazole

5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazole (PubChem CID 123734691) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazole
PubChem CID123734691
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazole
SMILESFC1=CC=C(c2cnc[nH]2)CC=C1
InChIInChI=1S/C10H9FN2/c11-9-3-1-2-8(4-5-9)10-6-12-7-13-10/h1,3-7H,2H2,(H,12,13)
InChIKeyGSHHQKMNUXGLNL-UHFFFAOYSA-N
XLogP2.61
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazole?
The IUPAC name of 5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazole (CID 123734691) is 5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazole.
What is the SMILES notation for 5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazole?
The canonical SMILES for 5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazole is FC1=CC=C(c2cnc[nH]2)CC=C1.
What is the InChIKey of 5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazole?
The InChIKey is GSHHQKMNUXGLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c11-9-3-1-2-8(4-5-9)10-6-12-7-13-10/h1,3-7H,2H2,(H,12,13).
What are the key properties of 5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazole?
5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazole has a molecular weight of 176.19 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazole is sourced from PubChem (CID 123734691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).