2-cyclohex-3-en-1-yl-1-[2-(1H-imidazol-2-yl)ethyl]imidazole

C14H18N4 — CID 56707009

IUPAC2-cyclohex-3-en-1-yl-1-[2-(1H-imidazol-2-yl)ethyl]imidazole
SMILESC1=CCC(c2nccn2CCc2ncc[nH]2)CC1
InChIInChI=1S/C14H18N4/c1-2-4-12(5-3-1)14-17-9-11-18(14)10-6-13-15-7-8-16-13/h1-2,7-9,11-12H,3-6,10H2,(H,15,16)
InChIKeyZCWVYWCTTFSXHH-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.67
Rot. Bonds4

About 2-cyclohex-3-en-1-yl-1-[2-(1H-imidazol-2-yl)ethyl]imidazole

2-cyclohex-3-en-1-yl-1-[2-(1H-imidazol-2-yl)ethyl]imidazole (PubChem CID 56707009) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-1-[2-(1H-imidazol-2-yl)ethyl]imidazole.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-1-[2-(1H-imidazol-2-yl)ethyl]imidazole
PubChem CID56707009
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-cyclohex-3-en-1-yl-1-[2-(1H-imidazol-2-yl)ethyl]imidazole
SMILESC1=CCC(c2nccn2CCc2ncc[nH]2)CC1
InChIInChI=1S/C14H18N4/c1-2-4-12(5-3-1)14-17-9-11-18(14)10-6-13-15-7-8-16-13/h1-2,7-9,11-12H,3-6,10H2,(H,15,16)
InChIKeyZCWVYWCTTFSXHH-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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 2-cyclohex-3-en-1-yl-1-[2-(1H-imidazol-2-yl)ethyl]imidazole?
The IUPAC name of 2-cyclohex-3-en-1-yl-1-[2-(1H-imidazol-2-yl)ethyl]imidazole (CID 56707009) is 2-cyclohex-3-en-1-yl-1-[2-(1H-imidazol-2-yl)ethyl]imidazole.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-1-[2-(1H-imidazol-2-yl)ethyl]imidazole?
The canonical SMILES for 2-cyclohex-3-en-1-yl-1-[2-(1H-imidazol-2-yl)ethyl]imidazole is C1=CCC(c2nccn2CCc2ncc[nH]2)CC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-1-[2-(1H-imidazol-2-yl)ethyl]imidazole?
The InChIKey is ZCWVYWCTTFSXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-4-12(5-3-1)14-17-9-11-18(14)10-6-13-15-7-8-16-13/h1-2,7-9,11-12H,3-6,10H2,(H,15,16).
What are the key properties of 2-cyclohex-3-en-1-yl-1-[2-(1H-imidazol-2-yl)ethyl]imidazole?
2-cyclohex-3-en-1-yl-1-[2-(1H-imidazol-2-yl)ethyl]imidazole has a molecular weight of 242.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 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-(1H-imidazol-2-yl)ethyl]imidazole is sourced from PubChem (CID 56707009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).