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

C12H15FN2 — CID 175970345

IUPAC1-ethyl-5-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]imidazole
SMILESCCn1cncc1CC1C=CC(F)=CC1
InChIInChI=1S/C12H15FN2/c1-2-15-9-14-8-12(15)7-10-3-5-11(13)6-4-10/h3,5-6,8-10H,2,4,7H2,1H3
InChIKeyJEZCDFNQYZQQPI-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.88
Rot. Bonds3

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

1-ethyl-5-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]imidazole (PubChem CID 175970345) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-ethyl-5-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]imidazole.

Molecular Properties

Compound Name1-ethyl-5-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]imidazole
PubChem CID175970345
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name1-ethyl-5-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]imidazole
SMILESCCn1cncc1CC1C=CC(F)=CC1
InChIInChI=1S/C12H15FN2/c1-2-15-9-14-8-12(15)7-10-3-5-11(13)6-4-10/h3,5-6,8-10H,2,4,7H2,1H3
InChIKeyJEZCDFNQYZQQPI-UHFFFAOYSA-N
XLogP2.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-Dicyclohexylimidazole
CID 719789
1-Cyclopropylmethyl-5-isobutyl-1H-imidazole
CID 10329901
5-(2-Methylpropyl)-1-octylimidazol-2-amine;hydrochloride
CID 54752931
5-(2-Methylpropyl)-1-pentylimidazol-2-amine;hydrochloride
CID 56663227
4-(cyclohex-3-en-1-yl)-1H-imidazole
CID 10130038
1-(5-Methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole
CID 22891118
4-Propyl-1-(3,3,3-trifluoropropyl)imidazole
CID 57872136
1-(2-Fluoropropyl)-4-propan-2-ylimidazole
CID 58213380
1-(2-Fluoroethyl)-4-propylimidazole
CID 59383101
5-(2,2-Dimethylpropyl)-2-fluoro-1-methylimidazole
CID 59623652
4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-4-fluorocyclohexa-2,5-diene-1-carbonitrile
CID 66885895
4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-4-fluorocyclohexa-1,5-diene-1-carbonitrile
CID 66885896

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]imidazole?
The IUPAC name of 1-ethyl-5-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]imidazole (CID 175970345) is 1-ethyl-5-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]imidazole.
What is the SMILES notation for 1-ethyl-5-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]imidazole?
The canonical SMILES for 1-ethyl-5-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]imidazole is CCn1cncc1CC1C=CC(F)=CC1.
What is the InChIKey of 1-ethyl-5-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]imidazole?
The InChIKey is JEZCDFNQYZQQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-2-15-9-14-8-12(15)7-10-3-5-11(13)6-4-10/h3,5-6,8-10H,2,4,7H2,1H3.
What are the key properties of 1-ethyl-5-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]imidazole?
1-ethyl-5-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]imidazole has a molecular weight of 206.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]imidazole is sourced from PubChem (CID 175970345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).