4-[(3-ethyl-2-fluorocyclohex-2-en-1-yl)methyl]-2,3-dihydro-1H-imidazole

C12H19FN2 — CID 10036030

IUPAC4-[(3-ethyl-2-fluorocyclohex-2-en-1-yl)methyl]-2,3-dihydro-1H-imidazole
SMILESCCC1=C(F)C(CC2=CNCN2)CCC1
InChIInChI=1S/C12H19FN2/c1-2-9-4-3-5-10(12(9)13)6-11-7-14-8-15-11/h7,10,14-15H,2-6,8H2,1H3
InChIKeyNMEUBSGZZKTXTB-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.80
Rot. Bonds3

About 4-[(3-ethyl-2-fluorocyclohex-2-en-1-yl)methyl]-2,3-dihydro-1H-imidazole

4-[(3-ethyl-2-fluorocyclohex-2-en-1-yl)methyl]-2,3-dihydro-1H-imidazole (PubChem CID 10036030) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-[(3-ethyl-2-fluorocyclohex-2-en-1-yl)methyl]-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-[(3-ethyl-2-fluorocyclohex-2-en-1-yl)methyl]-2,3-dihydro-1H-imidazole
PubChem CID10036030
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name4-[(3-ethyl-2-fluorocyclohex-2-en-1-yl)methyl]-2,3-dihydro-1H-imidazole
SMILESCCC1=C(F)C(CC2=CNCN2)CCC1
InChIInChI=1S/C12H19FN2/c1-2-9-4-3-5-10(12(9)13)6-11-7-14-8-15-11/h7,10,14-15H,2-6,8H2,1H3
InChIKeyNMEUBSGZZKTXTB-UHFFFAOYSA-N
XLogP2.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3E,5Z)-3,7-difluoroocta-3,5,7-trienyl]-4-methyl-5-[(5-methylidenepyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydropyridin-2-amine
CID 89270667
N,3-diethyl-5-[(2R)-3-[[(3R)-3-fluorobut-1-en-2-yl]amino]-2-methylpropyl]-1-methyl-3,4-dihydro-2H-pyridin-6-amine
CID 135244663
2-[3-(dimethylamino)-2-methylpropyl]-N-ethenyl-4-fluoro-3-methylcyclohexen-1-amine
CID 167204972
4-(3-Cyclopropylcyclohex-2-en-1-yl)-5-fluoro-1,2,3,4-tetrahydropyrimidin-2-amine
CID 172592436
4-[(2-Methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 11543017
2H-Imidazole-2-thione, 4-[(2-ethyl-2-cyclohexen-1-YL)methyl]-1,3-dihydro-
CID 11572105
2H-Imidazole-2-thione, 4-[(3-ethyl-2-cyclopenten-1-YL)methyl]-1,3-dihydro-
CID 11637074
4-[(3,4-Dimethylcyclohex-3-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 21986051
4-[(4-Methylcyclohex-3-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 21986059
4-[(3,4-Dimethylcyclohex-3-en-1-yl)methyl]-1,3-dihydroimidazol-2-one
CID 21986117
4-((3-Ethyl-4-methylcyclohex-3-en-1-yl)methyl)-1H-imidazol-2(3H)-one
CID 21986120
4-((3-Ethylcyclohex-3-en-1-yl)methyl)-1H-imidazol-2(3H)-one
CID 21986126

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-2-fluorocyclohex-2-en-1-yl)methyl]-2,3-dihydro-1H-imidazole?
The IUPAC name of 4-[(3-ethyl-2-fluorocyclohex-2-en-1-yl)methyl]-2,3-dihydro-1H-imidazole (CID 10036030) is 4-[(3-ethyl-2-fluorocyclohex-2-en-1-yl)methyl]-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 4-[(3-ethyl-2-fluorocyclohex-2-en-1-yl)methyl]-2,3-dihydro-1H-imidazole?
The canonical SMILES for 4-[(3-ethyl-2-fluorocyclohex-2-en-1-yl)methyl]-2,3-dihydro-1H-imidazole is CCC1=C(F)C(CC2=CNCN2)CCC1.
What is the InChIKey of 4-[(3-ethyl-2-fluorocyclohex-2-en-1-yl)methyl]-2,3-dihydro-1H-imidazole?
The InChIKey is NMEUBSGZZKTXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-2-9-4-3-5-10(12(9)13)6-11-7-14-8-15-11/h7,10,14-15H,2-6,8H2,1H3.
What are the key properties of 4-[(3-ethyl-2-fluorocyclohex-2-en-1-yl)methyl]-2,3-dihydro-1H-imidazole?
4-[(3-ethyl-2-fluorocyclohex-2-en-1-yl)methyl]-2,3-dihydro-1H-imidazole has a molecular weight of 210.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-2-fluorocyclohex-2-en-1-yl)methyl]-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 10036030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).