5-[(3-cyclobutylcyclohex-2-en-1-yl)methyl]-1H-imidazole;molecular hydrogen

C14H22N2 — CID 142171949

IUPAC5-[(3-cyclobutylcyclohex-2-en-1-yl)methyl]-1H-imidazole;molecular hydrogen
SMILESC1=C(C2CCC2)CCCC1Cc1cnc[nH]1.[H][H]
InChIInChI=1S/C14H20N2.H2/c1-3-11(8-14-9-15-10-16-14)7-13(6-1)12-4-2-5-12;/h7,9-12H,1-6,8H2,(H,15,16);1H
InChIKeyGFFRSCDQFIHCKU-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.72
Rot. Bonds3

About 5-[(3-cyclobutylcyclohex-2-en-1-yl)methyl]-1H-imidazole;molecular hydrogen

5-[(3-cyclobutylcyclohex-2-en-1-yl)methyl]-1H-imidazole;molecular hydrogen (PubChem CID 142171949) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-[(3-cyclobutylcyclohex-2-en-1-yl)methyl]-1H-imidazole;molecular hydrogen.

Molecular Properties

Compound Name5-[(3-cyclobutylcyclohex-2-en-1-yl)methyl]-1H-imidazole;molecular hydrogen
PubChem CID142171949
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-[(3-cyclobutylcyclohex-2-en-1-yl)methyl]-1H-imidazole;molecular hydrogen
SMILESC1=C(C2CCC2)CCCC1Cc1cnc[nH]1.[H][H]
InChIInChI=1S/C14H20N2.H2/c1-3-11(8-14-9-15-10-16-14)7-13(6-1)12-4-2-5-12;/h7,9-12H,1-6,8H2,(H,15,16);1H
InChIKeyGFFRSCDQFIHCKU-UHFFFAOYSA-N
XLogP3.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-imidazole
CID 129362256
5-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-1H-imidazole
CID 59976346
5-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-ylmethyl)-1H-imidazole;hydrochloride
CID 162333788
5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole
CID 118055412
5-[(2S,4aR)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl]-1H-imidazole
CID 124677292
5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole
CID 142171931
4-(1H-imidazol-5-ylmethyl)piperidine
CID 3035842
2-(1H-imidazol-5-yl)ethanol;molecular hydrogen
CID 168881125
(3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
CID 169426845
5-[(6-methyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl)methyl]-1H-imidazole
CID 143711060
5-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole
CID 20711765
5-ethyl-1H-imidazole;molecular hydrogen;propane
CID 153371786

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclobutylcyclohex-2-en-1-yl)methyl]-1H-imidazole;molecular hydrogen?
The IUPAC name of 5-[(3-cyclobutylcyclohex-2-en-1-yl)methyl]-1H-imidazole;molecular hydrogen (CID 142171949) is 5-[(3-cyclobutylcyclohex-2-en-1-yl)methyl]-1H-imidazole;molecular hydrogen.
What is the SMILES notation for 5-[(3-cyclobutylcyclohex-2-en-1-yl)methyl]-1H-imidazole;molecular hydrogen?
The canonical SMILES for 5-[(3-cyclobutylcyclohex-2-en-1-yl)methyl]-1H-imidazole;molecular hydrogen is C1=C(C2CCC2)CCCC1Cc1cnc[nH]1.[H][H].
What is the InChIKey of 5-[(3-cyclobutylcyclohex-2-en-1-yl)methyl]-1H-imidazole;molecular hydrogen?
The InChIKey is GFFRSCDQFIHCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.H2/c1-3-11(8-14-9-15-10-16-14)7-13(6-1)12-4-2-5-12;/h7,9-12H,1-6,8H2,(H,15,16);1H.
What are the key properties of 5-[(3-cyclobutylcyclohex-2-en-1-yl)methyl]-1H-imidazole;molecular hydrogen?
5-[(3-cyclobutylcyclohex-2-en-1-yl)methyl]-1H-imidazole;molecular hydrogen has a molecular weight of 218.34 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclobutylcyclohex-2-en-1-yl)methyl]-1H-imidazole;molecular hydrogen is sourced from PubChem (CID 142171949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).