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

C34H50N2 — CID 69396390

IUPAC2-(2-methyl-1,2-diphenyltridecan-3-yl)-1-pentylimidazole
SMILESCCCCCCCCCCC(c1nccn1CCCCC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C34H50N2/c1-4-6-8-9-10-11-12-19-25-32(33-35-26-28-36(33)27-20-7-5-2)34(3,31-23-17-14-18-24-31)29-30-21-15-13-16-22-30/h13-18,21-24,26,28,32H,4-12,19-20,25,27,29H2,1-3H3
InChIKeyLOPWCPFSGODHDP-UHFFFAOYSA-N
MW486.79 g/mol
LogP9.89
Rot. Bonds18

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

2-(2-methyl-1,2-diphenyltridecan-3-yl)-1-pentylimidazole (PubChem CID 69396390) has the molecular formula C34H50N2 and a molecular weight of 486.79 g/mol. Its IUPAC name is 2-(2-methyl-1,2-diphenyltridecan-3-yl)-1-pentylimidazole.

Molecular Properties

Compound Name2-(2-methyl-1,2-diphenyltridecan-3-yl)-1-pentylimidazole
PubChem CID69396390
Molecular FormulaC34H50N2
Molecular Weight486.79 g/mol
Exact Mass486.40
IUPAC Name2-(2-methyl-1,2-diphenyltridecan-3-yl)-1-pentylimidazole
SMILESCCCCCCCCCCC(c1nccn1CCCCC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C34H50N2/c1-4-6-8-9-10-11-12-19-25-32(33-35-26-28-36(33)27-20-7-5-2)34(3,31-23-17-14-18-24-31)29-30-21-15-13-16-22-30/h13-18,21-24,26,28,32H,4-12,19-20,25,27,29H2,1-3H3
InChIKeyLOPWCPFSGODHDP-UHFFFAOYSA-N
XLogP9.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.79
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole
CID 69390029
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,2-diphenyltridecan-3-yl)-1-pentylimidazole?
The IUPAC name of 2-(2-methyl-1,2-diphenyltridecan-3-yl)-1-pentylimidazole (CID 69396390) is 2-(2-methyl-1,2-diphenyltridecan-3-yl)-1-pentylimidazole.
What is the SMILES notation for 2-(2-methyl-1,2-diphenyltridecan-3-yl)-1-pentylimidazole?
The canonical SMILES for 2-(2-methyl-1,2-diphenyltridecan-3-yl)-1-pentylimidazole is CCCCCCCCCCC(c1nccn1CCCCC)C(C)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-methyl-1,2-diphenyltridecan-3-yl)-1-pentylimidazole?
The InChIKey is LOPWCPFSGODHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N2/c1-4-6-8-9-10-11-12-19-25-32(33-35-26-28-36(33)27-20-7-5-2)34(3,31-23-17-14-18-24-31)29-30-21-15-13-16-22-30/h13-18,21-24,26,28,32H,4-12,19-20,25,27,29H2,1-3H3.
What are the key properties of 2-(2-methyl-1,2-diphenyltridecan-3-yl)-1-pentylimidazole?
2-(2-methyl-1,2-diphenyltridecan-3-yl)-1-pentylimidazole has a molecular weight of 486.79 g/mol, XLogP of 9.89, 18 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-diphenyltridecan-3-yl)-1-pentylimidazole is sourced from PubChem (CID 69396390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).