1-(6-fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole

C11H13FN2 — CID 56976663

IUPAC1-(6-fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole
SMILESCC1=CC(C)=C(n2ccnc2)C(F)C1
InChIInChI=1S/C11H13FN2/c1-8-5-9(2)11(10(12)6-8)14-4-3-13-7-14/h3-5,7,10H,6H2,1-2H3
InChIKeyDBYWHAPBAHDKGD-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.80
Rot. Bonds1

About 1-(6-fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole

1-(6-fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole (PubChem CID 56976663) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-(6-fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole.

Molecular Properties

Compound Name1-(6-fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole
PubChem CID56976663
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name1-(6-fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole
SMILESCC1=CC(C)=C(n2ccnc2)C(F)C1
InChIInChI=1S/C11H13FN2/c1-8-5-9(2)11(10(12)6-8)14-4-3-13-7-14/h3-5,7,10H,6H2,1-2H3
InChIKeyDBYWHAPBAHDKGD-UHFFFAOYSA-N
XLogP2.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Subsituted 1H-imidazole, 13
CID 23466933
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-[(Z)-octadec-9-enyl]imidazole
CID 44265692
1-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazol-3-ium
CID 49767911
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
2-Fluoro-6-(3-imidazol-1-ylpropylimino)cyclohexa-1,3-diene-1-carbonitrile
CID 70183672
3-Fluoro-3-(3-imidazol-1-ylpropyl)cyclohexa-1,5-diene-1,4-diamine
CID 90030980
1-Fluoro-3-(4-imidazol-1-ylcyclohexa-1,5-dien-1-yl)pentan-2-amine
CID 134316493

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole?
The IUPAC name of 1-(6-fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole (CID 56976663) is 1-(6-fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole.
What is the SMILES notation for 1-(6-fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole?
The canonical SMILES for 1-(6-fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole is CC1=CC(C)=C(n2ccnc2)C(F)C1.
What is the InChIKey of 1-(6-fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole?
The InChIKey is DBYWHAPBAHDKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-8-5-9(2)11(10(12)6-8)14-4-3-13-7-14/h3-5,7,10H,6H2,1-2H3.
What are the key properties of 1-(6-fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole?
1-(6-fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole has a molecular weight of 192.24 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole is sourced from PubChem (CID 56976663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).