5-(6-cyclohexylhex-3-ynyl)-1H-imidazole

C15H22N2 — CID 10220233

IUPAC5-(6-cyclohexylhex-3-ynyl)-1H-imidazole
SMILESC(#CCCC1CCCCC1)CCc1cnc[nH]1
InChIInChI=1S/C15H22N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h12-14H,3-11H2,(H,16,17)
InChIKeyLATXTZVCBBIDBM-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.71
Rot. Bonds4

About 5-(6-cyclohexylhex-3-ynyl)-1H-imidazole

5-(6-cyclohexylhex-3-ynyl)-1H-imidazole (PubChem CID 10220233) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-(6-cyclohexylhex-3-ynyl)-1H-imidazole.

Molecular Properties

Compound Name5-(6-cyclohexylhex-3-ynyl)-1H-imidazole
PubChem CID10220233
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name5-(6-cyclohexylhex-3-ynyl)-1H-imidazole
SMILESC(#CCCC1CCCCC1)CCc1cnc[nH]1
InChIInChI=1S/C15H22N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h12-14H,3-11H2,(H,16,17)
InChIKeyLATXTZVCBBIDBM-UHFFFAOYSA-N
XLogP3.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(6-cyclohexylhex-3-ynyl)-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(6-cyclohexylhex-3-ynyl)-1H-imidazole?
The IUPAC name of 5-(6-cyclohexylhex-3-ynyl)-1H-imidazole (CID 10220233) is 5-(6-cyclohexylhex-3-ynyl)-1H-imidazole.
What is the SMILES notation for 5-(6-cyclohexylhex-3-ynyl)-1H-imidazole?
The canonical SMILES for 5-(6-cyclohexylhex-3-ynyl)-1H-imidazole is C(#CCCC1CCCCC1)CCc1cnc[nH]1.
What is the InChIKey of 5-(6-cyclohexylhex-3-ynyl)-1H-imidazole?
The InChIKey is LATXTZVCBBIDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h12-14H,3-11H2,(H,16,17).
What are the key properties of 5-(6-cyclohexylhex-3-ynyl)-1H-imidazole?
5-(6-cyclohexylhex-3-ynyl)-1H-imidazole has a molecular weight of 230.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-cyclohexylhex-3-ynyl)-1H-imidazole is sourced from PubChem (CID 10220233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).