1-[(Z)-1-phenylselanylhex-1-en-2-yl]imidazole

C15H18N2Se — CID 102130203

IUPAC1-[(Z)-1-phenylselanylhex-1-en-2-yl]imidazole
SMILESCCCC/C(=C/[Se]c1ccccc1)n1ccnc1
InChIInChI=1S/C15H18N2Se/c1-2-3-7-14(17-11-10-16-13-17)12-18-15-8-5-4-6-9-15/h4-6,8-13H,2-3,7H2,1H3/b14-12-
InChIKeyAUBJFRGXLZEANF-OWBHPGMISA-N
MW305.28 g/mol
LogP2.90
Rot. Bonds6

About 1-[(Z)-1-phenylselanylhex-1-en-2-yl]imidazole

1-[(Z)-1-phenylselanylhex-1-en-2-yl]imidazole (PubChem CID 102130203) has the molecular formula C15H18N2Se and a molecular weight of 305.28 g/mol. Its IUPAC name is 1-[(Z)-1-phenylselanylhex-1-en-2-yl]imidazole.

Molecular Properties

Compound Name1-[(Z)-1-phenylselanylhex-1-en-2-yl]imidazole
PubChem CID102130203
Molecular FormulaC15H18N2Se
Molecular Weight305.28 g/mol
Exact Mass306.06
IUPAC Name1-[(Z)-1-phenylselanylhex-1-en-2-yl]imidazole
SMILESCCCC/C(=C/[Se]c1ccccc1)n1ccnc1
InChIInChI=1S/C15H18N2Se/c1-2-3-7-14(17-11-10-16-13-17)12-18-15-8-5-4-6-9-15/h4-6,8-13H,2-3,7H2,1H3/b14-12-
InChIKeyAUBJFRGXLZEANF-OWBHPGMISA-N
XLogP2.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(Z)-1-phenylselanylhex-1-en-2-yl]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 1-[(Z)-1-phenylselanylhex-1-en-2-yl]imidazole?
The IUPAC name of 1-[(Z)-1-phenylselanylhex-1-en-2-yl]imidazole (CID 102130203) is 1-[(Z)-1-phenylselanylhex-1-en-2-yl]imidazole.
What is the SMILES notation for 1-[(Z)-1-phenylselanylhex-1-en-2-yl]imidazole?
The canonical SMILES for 1-[(Z)-1-phenylselanylhex-1-en-2-yl]imidazole is CCCC/C(=C/[Se]c1ccccc1)n1ccnc1.
What is the InChIKey of 1-[(Z)-1-phenylselanylhex-1-en-2-yl]imidazole?
The InChIKey is AUBJFRGXLZEANF-OWBHPGMISA-N. The full InChI is InChI=1S/C15H18N2Se/c1-2-3-7-14(17-11-10-16-13-17)12-18-15-8-5-4-6-9-15/h4-6,8-13H,2-3,7H2,1H3/b14-12-.
What are the key properties of 1-[(Z)-1-phenylselanylhex-1-en-2-yl]imidazole?
1-[(Z)-1-phenylselanylhex-1-en-2-yl]imidazole has a molecular weight of 305.28 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-phenylselanylhex-1-en-2-yl]imidazole is sourced from PubChem (CID 102130203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).