5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole

C10H11FN2 — CID 130459148

IUPAC5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole
SMILESCc1ncc(C2=CC=CC(F)C2)[nH]1
InChIInChI=1S/C10H11FN2/c1-7-12-6-10(13-7)8-3-2-4-9(11)5-8/h2-4,6,9H,5H2,1H3,(H,12,13)
InChIKeyYLOZDJDDROKLBM-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.40
Rot. Bonds1

About 5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole

5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole (PubChem CID 130459148) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole
PubChem CID130459148
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole
SMILESCc1ncc(C2=CC=CC(F)C2)[nH]1
InChIInChI=1S/C10H11FN2/c1-7-12-6-10(13-7)8-3-2-4-9(11)5-8/h2-4,6,9H,5H2,1H3,(H,12,13)
InChIKeyYLOZDJDDROKLBM-UHFFFAOYSA-N
XLogP2.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole?
The IUPAC name of 5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole (CID 130459148) is 5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole.
What is the SMILES notation for 5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole?
The canonical SMILES for 5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole is Cc1ncc(C2=CC=CC(F)C2)[nH]1.
What is the InChIKey of 5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole?
The InChIKey is YLOZDJDDROKLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-7-12-6-10(13-7)8-3-2-4-9(11)5-8/h2-4,6,9H,5H2,1H3,(H,12,13).
What are the key properties of 5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole?
5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole has a molecular weight of 178.21 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole is sourced from PubChem (CID 130459148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).