5-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-imidazole

C11H13FN2 — CID 173196501

IUPAC5-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-imidazole
SMILESFC1=CCC(CCc2cnc[nH]2)C=C1
InChIInChI=1S/C11H13FN2/c12-10-4-1-9(2-5-10)3-6-11-7-13-8-14-11/h1,4-5,7-9H,2-3,6H2,(H,13,14)
InChIKeyJUUDOYZGTLBMBE-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.77
Rot. Bonds3

About 5-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-imidazole

5-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-imidazole (PubChem CID 173196501) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 5-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-imidazole
PubChem CID173196501
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name5-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-imidazole
SMILESFC1=CCC(CCc2cnc[nH]2)C=C1
InChIInChI=1S/C11H13FN2/c12-10-4-1-9(2-5-10)3-6-11-7-13-8-14-11/h1,4-5,7-9H,2-3,6H2,(H,13,14)
InChIKeyJUUDOYZGTLBMBE-UHFFFAOYSA-N
XLogP2.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1H-imidazol-5-yl)butan-1-amine
CID 13499360
ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine
CID 174826915
2-(1H-imidazol-5-yl)ethanol;molecular hydrogen
CID 168881125
2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride
CID 67652425
5-hexyl-1H-imidazole
CID 14225142
(1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine
CID 25239956
5-(2-methylsulfanylethyl)-1H-imidazole
CID 141211352
3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
CID 69024759
N-[2-(1H-imidazol-5-yl)ethyl]adamantan-2-amine
CID 65232016
N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride
CID 70625954
5-(3-phenylpropyl)-1H-imidazole
CID 10035345

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-imidazole?
The IUPAC name of 5-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-imidazole (CID 173196501) is 5-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-imidazole.
What is the SMILES notation for 5-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-imidazole?
The canonical SMILES for 5-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-imidazole is FC1=CCC(CCc2cnc[nH]2)C=C1.
What is the InChIKey of 5-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-imidazole?
The InChIKey is JUUDOYZGTLBMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c12-10-4-1-9(2-5-10)3-6-11-7-13-8-14-11/h1,4-5,7-9H,2-3,6H2,(H,13,14).
What are the key properties of 5-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-imidazole?
5-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-imidazole has a molecular weight of 192.24 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-imidazole is sourced from PubChem (CID 173196501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).