1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)imidazole

C10H11FN2 — CID 88514849

IUPAC1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)imidazole
SMILESCC1C=CC=CC1(F)n1ccnc1
InChIInChI=1S/C10H11FN2/c1-9-4-2-3-5-10(9,11)13-7-6-12-8-13/h2-9H,1H3
InChIKeyVADSPULZQURWDM-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.27
Rot. Bonds1

About 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)imidazole

1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)imidazole (PubChem CID 88514849) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)imidazole.

Molecular Properties

Compound Name1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)imidazole
PubChem CID88514849
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)imidazole
SMILESCC1C=CC=CC1(F)n1ccnc1
InChIInChI=1S/C10H11FN2/c1-9-4-2-3-5-10(9,11)13-7-6-12-8-13/h2-9H,1H3
InChIKeyVADSPULZQURWDM-UHFFFAOYSA-N
XLogP2.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Subsituted 1H-imidazole, 10
CID 20148469
1-Subsituted 1H-imidazole, 14
CID 25116047
1-Subsituted 1H-imidazole, 12
CID 57339815
4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine
CID 10678575
1-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazol-3-ium
CID 49767911
1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole
CID 10954357
N-geranylimidazol
CID 13309275
1-(3,7-Dimethyloct-6-en-1-yl)-1H-imidazole
CID 71367182
(2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine
CID 164642173
1-(6-Fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole
CID 56976663
Iridium;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole
CID 58202901
2-Fluoro-6-(3-imidazol-1-ylpropylimino)cyclohexa-2,4-diene-1-carbonitrile
CID 70183669

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)imidazole?
The IUPAC name of 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)imidazole (CID 88514849) is 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)imidazole.
What is the SMILES notation for 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)imidazole?
The canonical SMILES for 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)imidazole is CC1C=CC=CC1(F)n1ccnc1.
What is the InChIKey of 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)imidazole?
The InChIKey is VADSPULZQURWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-9-4-2-3-5-10(9,11)13-7-6-12-8-13/h2-9H,1H3.
What are the key properties of 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)imidazole?
1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)imidazole has a molecular weight of 178.21 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)imidazole is sourced from PubChem (CID 88514849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).