2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole

C36H54N2 — CID 69390029

IUPAC2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole
SMILESCCCCCCCCCCCCC(c1nccn1CCCCC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C36H54N2/c1-4-6-8-9-10-11-12-13-14-21-27-34(35-37-28-30-38(35)29-22-7-5-2)36(3,33-25-19-16-20-26-33)31-32-23-17-15-18-24-32/h15-20,23-26,28,30,34H,4-14,21-22,27,29,31H2,1-3H3
InChIKeyVHPFXJKGRINHRB-UHFFFAOYSA-N
MW514.84 g/mol
LogP10.67
Rot. Bonds20

About 2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole

2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole (PubChem CID 69390029) has the molecular formula C36H54N2 and a molecular weight of 514.84 g/mol. Its IUPAC name is 2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole.

Molecular Properties

Compound Name2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole
PubChem CID69390029
Molecular FormulaC36H54N2
Molecular Weight514.84 g/mol
Exact Mass514.43
IUPAC Name2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole
SMILESCCCCCCCCCCCCC(c1nccn1CCCCC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C36H54N2/c1-4-6-8-9-10-11-12-13-14-21-27-34(35-37-28-30-38(35)29-22-7-5-2)36(3,33-25-19-16-20-26-33)31-32-23-17-15-18-24-32/h15-20,23-26,28,30,34H,4-14,21-22,27,29,31H2,1-3H3
InChIKeyVHPFXJKGRINHRB-UHFFFAOYSA-N
XLogP10.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.84
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole
CID 69394767
2-(2-methyl-1,2-diphenylnonadecan-3-yl)-1-octadecylimidazole
CID 69393145
2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-tridecylimidazole
CID 69395057
1-hexyl-2-(2-methyl-1,2-diphenyloctadecan-3-yl)imidazole
CID 69394432
1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole
CID 69393943
2-(2-methyl-1,2-diphenyldecan-3-yl)-1-undecylimidazole
CID 69393726
2-(2-methyl-1,2-diphenylheptadecan-3-yl)-1-octadecylimidazole
CID 69395580
2-(2-methyl-1,2-diphenylhexadecan-3-yl)-1-tridecylimidazole
CID 69398198
2-(2-methyl-1,2-diphenylicosan-3-yl)-1-pentylimidazole
CID 69389553
1-hexyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole
CID 69386928
1-dodecyl-2-(2-methyl-1,2-diphenyltridecan-3-yl)imidazole
CID 69396235
2-(2-methyl-1,2-diphenyltridecan-3-yl)-1-pentylimidazole
CID 69396390

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole?
The IUPAC name of 2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole (CID 69390029) is 2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole.
What is the SMILES notation for 2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole?
The canonical SMILES for 2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole is CCCCCCCCCCCCC(c1nccn1CCCCC)C(C)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole?
The InChIKey is VHPFXJKGRINHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H54N2/c1-4-6-8-9-10-11-12-13-14-21-27-34(35-37-28-30-38(35)29-22-7-5-2)36(3,33-25-19-16-20-26-33)31-32-23-17-15-18-24-32/h15-20,23-26,28,30,34H,4-14,21-22,27,29,31H2,1-3H3.
What are the key properties of 2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole?
2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole has a molecular weight of 514.84 g/mol, XLogP of 10.67, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole is sourced from PubChem (CID 69390029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).