1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole

C31H44N2 — CID 69393943

IUPAC1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole
SMILESCCCCCCC(c1nccn1CCCCCC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C31H44N2/c1-4-6-8-16-22-29(30-32-23-25-33(30)24-17-9-7-5-2)31(3,28-20-14-11-15-21-28)26-27-18-12-10-13-19-27/h10-15,18-21,23,25,29H,4-9,16-17,22,24,26H2,1-3H3
InChIKeyPWCLHVQQKRXMEF-UHFFFAOYSA-N
MW444.71 g/mol
LogP8.72
Rot. Bonds15

About 1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole

1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole (PubChem CID 69393943) has the molecular formula C31H44N2 and a molecular weight of 444.71 g/mol. Its IUPAC name is 1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole.

Molecular Properties

Compound Name1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole
PubChem CID69393943
Molecular FormulaC31H44N2
Molecular Weight444.71 g/mol
Exact Mass444.35
IUPAC Name1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole
SMILESCCCCCCC(c1nccn1CCCCCC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C31H44N2/c1-4-6-8-16-22-29(30-32-23-25-33(30)24-17-9-7-5-2)31(3,28-20-14-11-15-21-28)26-27-18-12-10-13-19-27/h10-15,18-21,23,25,29H,4-9,16-17,22,24,26H2,1-3H3
InChIKeyPWCLHVQQKRXMEF-UHFFFAOYSA-N
XLogP8.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.71
LogP ≤ 58.72
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
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 1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole?
The IUPAC name of 1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole (CID 69393943) is 1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole.
What is the SMILES notation for 1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole?
The canonical SMILES for 1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole is CCCCCCC(c1nccn1CCCCCC)C(C)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole?
The InChIKey is PWCLHVQQKRXMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N2/c1-4-6-8-16-22-29(30-32-23-25-33(30)24-17-9-7-5-2)31(3,28-20-14-11-15-21-28)26-27-18-12-10-13-19-27/h10-15,18-21,23,25,29H,4-9,16-17,22,24,26H2,1-3H3.
What are the key properties of 1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole?
1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole has a molecular weight of 444.71 g/mol, XLogP of 8.72, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole is sourced from PubChem (CID 69393943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).