1-cyclopentyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole

C17H26N2 — CID 14403478

IUPAC1-cyclopentyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole
SMILESCC(C)=CCC/C(C)=C/c1cncn1C1CCCC1
InChIInChI=1S/C17H26N2/c1-14(2)7-6-8-15(3)11-17-12-18-13-19(17)16-9-4-5-10-16/h7,11-13,16H,4-6,8-10H2,1-3H3/b15-11+
InChIKeyJUSVCNOPGYLJAI-RVDMUPIBSA-N
MW258.41 g/mol
LogP5.15
Rot. Bonds5

About 1-cyclopentyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole

1-cyclopentyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole (PubChem CID 14403478) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-cyclopentyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole.

Molecular Properties

Compound Name1-cyclopentyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole
PubChem CID14403478
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-cyclopentyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole
SMILESCC(C)=CCC/C(C)=C/c1cncn1C1CCCC1
InChIInChI=1S/C17H26N2/c1-14(2)7-6-8-15(3)11-17-12-18-13-19(17)16-9-4-5-10-16/h7,11-13,16H,4-6,8-10H2,1-3H3/b15-11+
InChIKeyJUSVCNOPGYLJAI-RVDMUPIBSA-N
XLogP5.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.41
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-cyclopentyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole?
The IUPAC name of 1-cyclopentyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole (CID 14403478) is 1-cyclopentyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole.
What is the SMILES notation for 1-cyclopentyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole?
The canonical SMILES for 1-cyclopentyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole is CC(C)=CCC/C(C)=C/c1cncn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole?
The InChIKey is JUSVCNOPGYLJAI-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H26N2/c1-14(2)7-6-8-15(3)11-17-12-18-13-19(17)16-9-4-5-10-16/h7,11-13,16H,4-6,8-10H2,1-3H3/b15-11+.
What are the key properties of 1-cyclopentyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole?
1-cyclopentyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole has a molecular weight of 258.41 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole is sourced from PubChem (CID 14403478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).