1-(2-fluorocyclohexa-1,5-dien-1-yl)-4-[(E)-hept-3-en-4-yl]imidazole

C16H21FN2 — CID 143163437

IUPAC1-(2-fluorocyclohexa-1,5-dien-1-yl)-4-[(E)-hept-3-en-4-yl]imidazole
SMILESCC/C=C(\CCC)c1cn(C2=C(F)CCC=C2)cn1
InChIInChI=1S/C16H21FN2/c1-3-7-13(8-4-2)15-11-19(12-18-15)16-10-6-5-9-14(16)17/h6-7,10-12H,3-5,8-9H2,1-2H3/b13-7+
InChIKeyWMQHGMLXWJJOQL-NTUHNPAUSA-N
MW260.36 g/mol
LogP4.96
Rot. Bonds5

About 1-(2-fluorocyclohexa-1,5-dien-1-yl)-4-[(E)-hept-3-en-4-yl]imidazole

1-(2-fluorocyclohexa-1,5-dien-1-yl)-4-[(E)-hept-3-en-4-yl]imidazole (PubChem CID 143163437) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(2-fluorocyclohexa-1,5-dien-1-yl)-4-[(E)-hept-3-en-4-yl]imidazole.

Molecular Properties

Compound Name1-(2-fluorocyclohexa-1,5-dien-1-yl)-4-[(E)-hept-3-en-4-yl]imidazole
PubChem CID143163437
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name1-(2-fluorocyclohexa-1,5-dien-1-yl)-4-[(E)-hept-3-en-4-yl]imidazole
SMILESCC/C=C(\CCC)c1cn(C2=C(F)CCC=C2)cn1
InChIInChI=1S/C16H21FN2/c1-3-7-13(8-4-2)15-11-19(12-18-15)16-10-6-5-9-14(16)17/h6-7,10-12H,3-5,8-9H2,1-2H3/b13-7+
InChIKeyWMQHGMLXWJJOQL-NTUHNPAUSA-N
XLogP4.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1h-Imidazol-4-yl)-1,2,3,6-tetrahydropyridine
CID 24729202
1H-Imidazole, 5-(2,6-dimethyl-1,5-heptadienyl)-1-(1-methylpropyl)-, (E)-
CID 6442774
1H-Imidazole, 5-(2,6-dimethyl-1,5-heptadienyl)-1-(2-methylpropyl)-, (E)-
CID 6442784
3-[4-[2-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-7-methylidene-8H-imidazo[1,2-a]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 87057977
4-[4-(5-Fluorocyclohexa-1,3-dien-1-yl)imidazol-1-yl]piperidine
CID 118297224
4-[[3-[1-(4-Fluorocyclohexa-1,3-dien-1-yl)ethyl]imidazol-4-yl]methylidene]piperidine
CID 123621642
5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazole
CID 123734691
5-[(3E)-3-fluoropenta-1,3-dien-2-yl]-1-methylimidazole
CID 129296647
7-[(1Z)-buta-1,3-dienyl]-6-fluoro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-pyrrolo[1,2-c]imidazole
CID 130455671
6-[(1Z)-buta-1,3-dienyl]-7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-5H-pyrrolo[1,2-c]imidazole
CID 130455674
5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole
CID 130459148
6-[(1Z)-buta-1,3-dienyl]-7-ethenyl-5-[2-(1-fluoro-4-methylcyclohexyl)ethyl]-5H-pyrrolo[1,2-c]imidazole
CID 132218385

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorocyclohexa-1,5-dien-1-yl)-4-[(E)-hept-3-en-4-yl]imidazole?
The IUPAC name of 1-(2-fluorocyclohexa-1,5-dien-1-yl)-4-[(E)-hept-3-en-4-yl]imidazole (CID 143163437) is 1-(2-fluorocyclohexa-1,5-dien-1-yl)-4-[(E)-hept-3-en-4-yl]imidazole.
What is the SMILES notation for 1-(2-fluorocyclohexa-1,5-dien-1-yl)-4-[(E)-hept-3-en-4-yl]imidazole?
The canonical SMILES for 1-(2-fluorocyclohexa-1,5-dien-1-yl)-4-[(E)-hept-3-en-4-yl]imidazole is CC/C=C(\CCC)c1cn(C2=C(F)CCC=C2)cn1.
What is the InChIKey of 1-(2-fluorocyclohexa-1,5-dien-1-yl)-4-[(E)-hept-3-en-4-yl]imidazole?
The InChIKey is WMQHGMLXWJJOQL-NTUHNPAUSA-N. The full InChI is InChI=1S/C16H21FN2/c1-3-7-13(8-4-2)15-11-19(12-18-15)16-10-6-5-9-14(16)17/h6-7,10-12H,3-5,8-9H2,1-2H3/b13-7+.
What are the key properties of 1-(2-fluorocyclohexa-1,5-dien-1-yl)-4-[(E)-hept-3-en-4-yl]imidazole?
1-(2-fluorocyclohexa-1,5-dien-1-yl)-4-[(E)-hept-3-en-4-yl]imidazole has a molecular weight of 260.36 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorocyclohexa-1,5-dien-1-yl)-4-[(E)-hept-3-en-4-yl]imidazole is sourced from PubChem (CID 143163437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).