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

C20H30N2 — CID 154198104

IUPAC2-phenyl-5-undecyl-1H-imidazole
SMILESCCCCCCCCCCCc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C20H30N2/c1-2-3-4-5-6-7-8-9-13-16-19-17-21-20(22-19)18-14-11-10-12-15-18/h10-12,14-15,17H,2-9,13,16H2,1H3,(H,21,22)
InChIKeyCAKMDMIZRKXFEM-UHFFFAOYSA-N
MW298.47 g/mol
LogP6.15
Rot. Bonds11

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

2-phenyl-5-undecyl-1H-imidazole (PubChem CID 154198104) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-phenyl-5-undecyl-1H-imidazole.

Molecular Properties

Compound Name2-phenyl-5-undecyl-1H-imidazole
PubChem CID154198104
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name2-phenyl-5-undecyl-1H-imidazole
SMILESCCCCCCCCCCCc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C20H30N2/c1-2-3-4-5-6-7-8-9-13-16-19-17-21-20(22-19)18-14-11-10-12-15-18/h10-12,14-15,17H,2-9,13,16H2,1H3,(H,21,22)
InChIKeyCAKMDMIZRKXFEM-UHFFFAOYSA-N
XLogP6.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(5-pentyl-1H-imidazol-2-yl)pyridine
CID 69088600
5-hexyl-2-(2-methylphenyl)-1H-imidazole
CID 176655031
2,5-dioctyl-3-phenyl-1H-pyrrole
CID 174734668
N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]acetamide
CID 110711155
2-octyl-5-phenyl-1H-indole
CID 134909135
2-methyl-5-octadecyl-1H-imidazole;hydrobromide
CID 174843690
5-heptadecyl-1H-imidazol-2-amine
CID 25178085
1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride
CID 170894357
5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole
CID 10093854
3-(5-propyl-1H-imidazol-2-yl)aniline
CID 116877695
1,1'-biphenyl;hexadecane
CID 173308514
2-octylazulene
CID 101406191

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-undecyl-1H-imidazole?
The IUPAC name of 2-phenyl-5-undecyl-1H-imidazole (CID 154198104) is 2-phenyl-5-undecyl-1H-imidazole.
What is the SMILES notation for 2-phenyl-5-undecyl-1H-imidazole?
The canonical SMILES for 2-phenyl-5-undecyl-1H-imidazole is CCCCCCCCCCCc1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-phenyl-5-undecyl-1H-imidazole?
The InChIKey is CAKMDMIZRKXFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-2-3-4-5-6-7-8-9-13-16-19-17-21-20(22-19)18-14-11-10-12-15-18/h10-12,14-15,17H,2-9,13,16H2,1H3,(H,21,22).
What are the key properties of 2-phenyl-5-undecyl-1H-imidazole?
2-phenyl-5-undecyl-1H-imidazole has a molecular weight of 298.47 g/mol, XLogP of 6.15, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-undecyl-1H-imidazole is sourced from PubChem (CID 154198104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).