2-cyclohex-3-en-1-yl-1-(2-methoxy-2-methylpropyl)imidazole

C14H22N2O — CID 56738929

IUPAC2-cyclohex-3-en-1-yl-1-(2-methoxy-2-methylpropyl)imidazole
SMILESCOC(C)(C)Cn1ccnc1C1CC=CCC1
InChIInChI=1S/C14H22N2O/c1-14(2,17-3)11-16-10-9-15-13(16)12-7-5-4-6-8-12/h4-5,9-10,12H,6-8,11H2,1-3H3
InChIKeyLEVCYBHELRMOLE-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.13
Rot. Bonds4

About 2-cyclohex-3-en-1-yl-1-(2-methoxy-2-methylpropyl)imidazole

2-cyclohex-3-en-1-yl-1-(2-methoxy-2-methylpropyl)imidazole (PubChem CID 56738929) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-1-(2-methoxy-2-methylpropyl)imidazole.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-1-(2-methoxy-2-methylpropyl)imidazole
PubChem CID56738929
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-cyclohex-3-en-1-yl-1-(2-methoxy-2-methylpropyl)imidazole
SMILESCOC(C)(C)Cn1ccnc1C1CC=CCC1
InChIInChI=1S/C14H22N2O/c1-14(2,17-3)11-16-10-9-15-13(16)12-7-5-4-6-8-12/h4-5,9-10,12H,6-8,11H2,1-3H3
InChIKeyLEVCYBHELRMOLE-UHFFFAOYSA-N
XLogP3.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)-2-methylpropanoate
CID 165490276
1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine
CID 106581296
5-cyclohex-3-en-1-yl-3-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 131950582
methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)propanoate
CID 165475415
2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 104760515
1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole
CID 168941227
1-(cyclohex-3-en-1-ylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole
CID 57142141
1-[(1-benzylimidazol-2-yl)methyl]-4-cyclohex-3-en-1-yltriazole
CID 56716481
2-(2-cyclopropylimidazol-1-yl)acetic acid
CID 82560357
6-(2-cyclohex-3-en-1-ylimidazol-1-yl)-4,5-dimethyl-1H-benzimidazole;formic acid
CID 154921771
1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine
CID 56861899
(6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane
CID 125454365

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-1-(2-methoxy-2-methylpropyl)imidazole?
The IUPAC name of 2-cyclohex-3-en-1-yl-1-(2-methoxy-2-methylpropyl)imidazole (CID 56738929) is 2-cyclohex-3-en-1-yl-1-(2-methoxy-2-methylpropyl)imidazole.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-1-(2-methoxy-2-methylpropyl)imidazole?
The canonical SMILES for 2-cyclohex-3-en-1-yl-1-(2-methoxy-2-methylpropyl)imidazole is COC(C)(C)Cn1ccnc1C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-1-(2-methoxy-2-methylpropyl)imidazole?
The InChIKey is LEVCYBHELRMOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,17-3)11-16-10-9-15-13(16)12-7-5-4-6-8-12/h4-5,9-10,12H,6-8,11H2,1-3H3.
What are the key properties of 2-cyclohex-3-en-1-yl-1-(2-methoxy-2-methylpropyl)imidazole?
2-cyclohex-3-en-1-yl-1-(2-methoxy-2-methylpropyl)imidazole has a molecular weight of 234.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-1-(2-methoxy-2-methylpropyl)imidazole is sourced from PubChem (CID 56738929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).