1-[2-(cyclohexen-1-yl)ethyl]-2-(1H-imidazol-2-yl)imidazole

C14H18N4 — CID 56739750

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-2-(1H-imidazol-2-yl)imidazole
SMILESC1=C(CCn2ccnc2-c2ncc[nH]2)CCCC1
InChIInChI=1S/C14H18N4/c1-2-4-12(5-3-1)6-10-18-11-9-17-14(18)13-15-7-8-16-13/h4,7-9,11H,1-3,5-6,10H2,(H,15,16)
InChIKeyZVKYWJLINSFUHK-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.16
Rot. Bonds4

About 1-[2-(cyclohexen-1-yl)ethyl]-2-(1H-imidazol-2-yl)imidazole

1-[2-(cyclohexen-1-yl)ethyl]-2-(1H-imidazol-2-yl)imidazole (PubChem CID 56739750) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-2-(1H-imidazol-2-yl)imidazole.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-2-(1H-imidazol-2-yl)imidazole
PubChem CID56739750
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-2-(1H-imidazol-2-yl)imidazole
SMILESC1=C(CCn2ccnc2-c2ncc[nH]2)CCCC1
InChIInChI=1S/C14H18N4/c1-2-4-12(5-3-1)6-10-18-11-9-17-14(18)13-15-7-8-16-13/h4,7-9,11H,1-3,5-6,10H2,(H,15,16)
InChIKeyZVKYWJLINSFUHK-UHFFFAOYSA-N
XLogP3.16
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-2-(1H-imidazol-2-yl)imidazole?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-2-(1H-imidazol-2-yl)imidazole (CID 56739750) is 1-[2-(cyclohexen-1-yl)ethyl]-2-(1H-imidazol-2-yl)imidazole.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-2-(1H-imidazol-2-yl)imidazole?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-2-(1H-imidazol-2-yl)imidazole is C1=C(CCn2ccnc2-c2ncc[nH]2)CCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-2-(1H-imidazol-2-yl)imidazole?
The InChIKey is ZVKYWJLINSFUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-4-12(5-3-1)6-10-18-11-9-17-14(18)13-15-7-8-16-13/h4,7-9,11H,1-3,5-6,10H2,(H,15,16).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-2-(1H-imidazol-2-yl)imidazole?
1-[2-(cyclohexen-1-yl)ethyl]-2-(1H-imidazol-2-yl)imidazole has a molecular weight of 242.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-2-(1H-imidazol-2-yl)imidazole is sourced from PubChem (CID 56739750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).