2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-tridecylimidazole

C43H68N2 — CID 69395057

IUPAC2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-tridecylimidazole
SMILESCCCCCCCCCCCCCn1ccnc1C(CCCCCCCCCCC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C43H68N2/c1-4-6-8-10-12-14-15-17-19-21-29-36-45-37-35-44-42(45)41(34-28-20-18-16-13-11-9-7-5-2)43(3,40-32-26-23-27-33-40)38-39-30-24-22-25-31-39/h22-27,30-33,35,37,41H,4-21,28-29,34,36,38H2,1-3H3
InChIKeyPCVDYNUBRRUIGC-UHFFFAOYSA-N
MW613.03 g/mol
LogP13.40
Rot. Bonds27

About 2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-tridecylimidazole

2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-tridecylimidazole (PubChem CID 69395057) has the molecular formula C43H68N2 and a molecular weight of 613.03 g/mol. Its IUPAC name is 2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-tridecylimidazole.

Molecular Properties

Compound Name2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-tridecylimidazole
PubChem CID69395057
Molecular FormulaC43H68N2
Molecular Weight613.03 g/mol
Exact Mass612.54
IUPAC Name2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-tridecylimidazole
SMILESCCCCCCCCCCCCCn1ccnc1C(CCCCCCCCCCC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C43H68N2/c1-4-6-8-10-12-14-15-17-19-21-29-36-45-37-35-44-42(45)41(34-28-20-18-16-13-11-9-7-5-2)43(3,40-32-26-23-27-33-40)38-39-30-24-22-25-31-39/h22-27,30-33,35,37,41H,4-21,28-29,34,36,38H2,1-3H3
InChIKeyPCVDYNUBRRUIGC-UHFFFAOYSA-N
XLogP13.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.03
LogP ≤ 513.40
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
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
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-diphenyltetradecan-3-yl)-1-tridecylimidazole?
The IUPAC name of 2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-tridecylimidazole (CID 69395057) is 2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-tridecylimidazole.
What is the SMILES notation for 2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-tridecylimidazole?
The canonical SMILES for 2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-tridecylimidazole is CCCCCCCCCCCCCn1ccnc1C(CCCCCCCCCCC)C(C)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-tridecylimidazole?
The InChIKey is PCVDYNUBRRUIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H68N2/c1-4-6-8-10-12-14-15-17-19-21-29-36-45-37-35-44-42(45)41(34-28-20-18-16-13-11-9-7-5-2)43(3,40-32-26-23-27-33-40)38-39-30-24-22-25-31-39/h22-27,30-33,35,37,41H,4-21,28-29,34,36,38H2,1-3H3.
What are the key properties of 2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-tridecylimidazole?
2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-tridecylimidazole has a molecular weight of 613.03 g/mol, XLogP of 13.40, 27 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-diphenyltetradecan-3-yl)-1-tridecylimidazole is sourced from PubChem (CID 69395057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).