4-[1-[1-(cyclohexen-1-yl)ethyl]imidazol-2-yl]-1,2-dimethylimidazole

C16H22N4 — CID 154821737

IUPAC4-[1-[1-(cyclohexen-1-yl)ethyl]imidazol-2-yl]-1,2-dimethylimidazole
SMILESCc1nc(-c2nccn2C(C)C2=CCCCC2)cn1C
InChIInChI=1S/C16H22N4/c1-12(14-7-5-4-6-8-14)20-10-9-17-16(20)15-11-19(3)13(2)18-15/h7,9-12H,4-6,8H2,1-3H3
InChIKeyWXZMAEUCBOKBLC-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.65
Rot. Bonds3

About 4-[1-[1-(cyclohexen-1-yl)ethyl]imidazol-2-yl]-1,2-dimethylimidazole

4-[1-[1-(cyclohexen-1-yl)ethyl]imidazol-2-yl]-1,2-dimethylimidazole (PubChem CID 154821737) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[1-[1-(cyclohexen-1-yl)ethyl]imidazol-2-yl]-1,2-dimethylimidazole.

Molecular Properties

Compound Name4-[1-[1-(cyclohexen-1-yl)ethyl]imidazol-2-yl]-1,2-dimethylimidazole
PubChem CID154821737
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-[1-[1-(cyclohexen-1-yl)ethyl]imidazol-2-yl]-1,2-dimethylimidazole
SMILESCc1nc(-c2nccn2C(C)C2=CCCCC2)cn1C
InChIInChI=1S/C16H22N4/c1-12(14-7-5-4-6-8-14)20-10-9-17-16(20)15-11-19(3)13(2)18-15/h7,9-12H,4-6,8H2,1-3H3
InChIKeyWXZMAEUCBOKBLC-UHFFFAOYSA-N
XLogP3.65
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(9H-fluoren-9-yl)imidazol-2-yl]-1,2-dimethylimidazole
CID 154817844
2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol
CID 116660154
1-(1-iodoethyl)cyclohexene
CID 126621262
4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;hydrochloride
CID 155941142
1-[1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 72912237
1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 97453233
cyclohexen-1-yl-(2-methyl-4-pyridinyl)methanamine
CID 106756070
N-[cyclohepten-1-yl-(1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 106657176
1-[(2R)-butan-2-yl]cyclohexene
CID 13107632
1-(cyclohexen-1-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106756069
(7R,8aS)-7-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 154818058
1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine
CID 116661214

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(cyclohexen-1-yl)ethyl]imidazol-2-yl]-1,2-dimethylimidazole?
The IUPAC name of 4-[1-[1-(cyclohexen-1-yl)ethyl]imidazol-2-yl]-1,2-dimethylimidazole (CID 154821737) is 4-[1-[1-(cyclohexen-1-yl)ethyl]imidazol-2-yl]-1,2-dimethylimidazole.
What is the SMILES notation for 4-[1-[1-(cyclohexen-1-yl)ethyl]imidazol-2-yl]-1,2-dimethylimidazole?
The canonical SMILES for 4-[1-[1-(cyclohexen-1-yl)ethyl]imidazol-2-yl]-1,2-dimethylimidazole is Cc1nc(-c2nccn2C(C)C2=CCCCC2)cn1C.
What is the InChIKey of 4-[1-[1-(cyclohexen-1-yl)ethyl]imidazol-2-yl]-1,2-dimethylimidazole?
The InChIKey is WXZMAEUCBOKBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12(14-7-5-4-6-8-14)20-10-9-17-16(20)15-11-19(3)13(2)18-15/h7,9-12H,4-6,8H2,1-3H3.
What are the key properties of 4-[1-[1-(cyclohexen-1-yl)ethyl]imidazol-2-yl]-1,2-dimethylimidazole?
4-[1-[1-(cyclohexen-1-yl)ethyl]imidazol-2-yl]-1,2-dimethylimidazole has a molecular weight of 270.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(cyclohexen-1-yl)ethyl]imidazol-2-yl]-1,2-dimethylimidazole is sourced from PubChem (CID 154821737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).