2-(2-methyl-1,2-diphenylnonadecan-3-yl)-1-propylimidazole

C38H58N2 — CID 69397803

IUPAC2-(2-methyl-1,2-diphenylnonadecan-3-yl)-1-propylimidazole
SMILESCCCCCCCCCCCCCCCCC(c1nccn1CCC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C38H58N2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-24-29-36(37-39-30-32-40(37)31-5-2)38(3,35-27-22-19-23-28-35)33-34-25-20-18-21-26-34/h18-23,25-28,30,32,36H,4-17,24,29,31,33H2,1-3H3
InChIKeyLMBZSPHFTMXEBA-UHFFFAOYSA-N
MW542.90 g/mol
LogP11.45
Rot. Bonds22

About 2-(2-methyl-1,2-diphenylnonadecan-3-yl)-1-propylimidazole

2-(2-methyl-1,2-diphenylnonadecan-3-yl)-1-propylimidazole (PubChem CID 69397803) has the molecular formula C38H58N2 and a molecular weight of 542.90 g/mol. Its IUPAC name is 2-(2-methyl-1,2-diphenylnonadecan-3-yl)-1-propylimidazole.

Molecular Properties

Compound Name2-(2-methyl-1,2-diphenylnonadecan-3-yl)-1-propylimidazole
PubChem CID69397803
Molecular FormulaC38H58N2
Molecular Weight542.90 g/mol
Exact Mass542.46
IUPAC Name2-(2-methyl-1,2-diphenylnonadecan-3-yl)-1-propylimidazole
SMILESCCCCCCCCCCCCCCCCC(c1nccn1CCC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C38H58N2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-24-29-36(37-39-30-32-40(37)31-5-2)38(3,35-27-22-19-23-28-35)33-34-25-20-18-21-26-34/h18-23,25-28,30,32,36H,4-17,24,29,31,33H2,1-3H3
InChIKeyLMBZSPHFTMXEBA-UHFFFAOYSA-N
XLogP11.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.90
LogP ≤ 511.45
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-diphenylnonadecan-3-yl)-1-propylimidazole?
The IUPAC name of 2-(2-methyl-1,2-diphenylnonadecan-3-yl)-1-propylimidazole (CID 69397803) is 2-(2-methyl-1,2-diphenylnonadecan-3-yl)-1-propylimidazole.
What is the SMILES notation for 2-(2-methyl-1,2-diphenylnonadecan-3-yl)-1-propylimidazole?
The canonical SMILES for 2-(2-methyl-1,2-diphenylnonadecan-3-yl)-1-propylimidazole is CCCCCCCCCCCCCCCCC(c1nccn1CCC)C(C)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-methyl-1,2-diphenylnonadecan-3-yl)-1-propylimidazole?
The InChIKey is LMBZSPHFTMXEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H58N2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-24-29-36(37-39-30-32-40(37)31-5-2)38(3,35-27-22-19-23-28-35)33-34-25-20-18-21-26-34/h18-23,25-28,30,32,36H,4-17,24,29,31,33H2,1-3H3.
What are the key properties of 2-(2-methyl-1,2-diphenylnonadecan-3-yl)-1-propylimidazole?
2-(2-methyl-1,2-diphenylnonadecan-3-yl)-1-propylimidazole has a molecular weight of 542.90 g/mol, XLogP of 11.45, 22 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-diphenylnonadecan-3-yl)-1-propylimidazole is sourced from PubChem (CID 69397803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).