2-benzyl-5-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole

C39H48N6 — CID 161219728

IUPAC2-benzyl-5-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole
SMILESCCCCCCCCCCCc1ncc[nH]1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(Cc2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C16H14N2.C14H26N2.C9H8N2/c1-3-7-13(8-4-1)11-16-17-12-15(18-16)14-9-5-2-6-10-14;1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14;1-2-4-8(5-3-1)9-10-6-7-11-9/h1-10,12H,11H2,(H,17,18);12-13H,2-11H2,1H3,(H,15,16);1-7H,(H,10,11)
InChIKeyUXIQSACWLCIADE-UHFFFAOYSA-N
MW600.86 g/mol
LogP10.23
Rot. Bonds14

About 2-benzyl-5-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole

2-benzyl-5-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole (PubChem CID 161219728) has the molecular formula C39H48N6 and a molecular weight of 600.86 g/mol. Its IUPAC name is 2-benzyl-5-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole.

Molecular Properties

Compound Name2-benzyl-5-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole
PubChem CID161219728
Molecular FormulaC39H48N6
Molecular Weight600.86 g/mol
Exact Mass600.39
IUPAC Name2-benzyl-5-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole
SMILESCCCCCCCCCCCc1ncc[nH]1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(Cc2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C16H14N2.C14H26N2.C9H8N2/c1-3-7-13(8-4-1)11-16-17-12-15(18-16)14-9-5-2-6-10-14;1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14;1-2-4-8(5-3-1)9-10-6-7-11-9/h1-10,12H,11H2,(H,17,18);12-13H,2-11H2,1H3,(H,15,16);1-7H,(H,10,11)
InChIKeyUXIQSACWLCIADE-UHFFFAOYSA-N
XLogP10.23
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.86
LogP ≤ 510.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-benzyl-5-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-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 2-benzyl-5-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole?
The IUPAC name of 2-benzyl-5-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole (CID 161219728) is 2-benzyl-5-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole.
What is the SMILES notation for 2-benzyl-5-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole?
The canonical SMILES for 2-benzyl-5-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole is CCCCCCCCCCCc1ncc[nH]1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(Cc2ncc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2-benzyl-5-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole?
The InChIKey is UXIQSACWLCIADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2.C14H26N2.C9H8N2/c1-3-7-13(8-4-1)11-16-17-12-15(18-16)14-9-5-2-6-10-14;1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14;1-2-4-8(5-3-1)9-10-6-7-11-9/h1-10,12H,11H2,(H,17,18);12-13H,2-11H2,1H3,(H,15,16);1-7H,(H,10,11).
What are the key properties of 2-benzyl-5-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole?
2-benzyl-5-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole has a molecular weight of 600.86 g/mol, XLogP of 10.23, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole is sourced from PubChem (CID 161219728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).