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

C30H42N2 — CID 69386928

IUPAC1-hexyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole
SMILESCCCCCCn1ccnc1C(CCCCC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C30H42N2/c1-4-6-8-16-23-32-24-22-31-29(32)28(21-11-7-5-2)30(3,27-19-14-10-15-20-27)25-26-17-12-9-13-18-26/h9-10,12-15,17-20,22,24,28H,4-8,11,16,21,23,25H2,1-3H3
InChIKeyKFUQYBRUJPZUME-UHFFFAOYSA-N
MW430.68 g/mol
LogP8.33
Rot. Bonds14

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

1-hexyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole (PubChem CID 69386928) has the molecular formula C30H42N2 and a molecular weight of 430.68 g/mol. Its IUPAC name is 1-hexyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole.

Molecular Properties

Compound Name1-hexyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole
PubChem CID69386928
Molecular FormulaC30H42N2
Molecular Weight430.68 g/mol
Exact Mass430.33
IUPAC Name1-hexyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole
SMILESCCCCCCn1ccnc1C(CCCCC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C30H42N2/c1-4-6-8-16-23-32-24-22-31-29(32)28(21-11-7-5-2)30(3,27-19-14-10-15-20-27)25-26-17-12-9-13-18-26/h9-10,12-15,17-20,22,24,28H,4-8,11,16,21,23,25H2,1-3H3
InChIKeyKFUQYBRUJPZUME-UHFFFAOYSA-N
XLogP8.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.68
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-hexyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole 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
2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole
CID 69390029
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-diphenyloctan-3-yl)imidazole?
The IUPAC name of 1-hexyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole (CID 69386928) is 1-hexyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole.
What is the SMILES notation for 1-hexyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole?
The canonical SMILES for 1-hexyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole is CCCCCCn1ccnc1C(CCCCC)C(C)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-hexyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole?
The InChIKey is KFUQYBRUJPZUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2/c1-4-6-8-16-23-32-24-22-31-29(32)28(21-11-7-5-2)30(3,27-19-14-10-15-20-27)25-26-17-12-9-13-18-26/h9-10,12-15,17-20,22,24,28H,4-8,11,16,21,23,25H2,1-3H3.
What are the key properties of 1-hexyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole?
1-hexyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole has a molecular weight of 430.68 g/mol, XLogP of 8.33, 14 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-diphenyloctan-3-yl)imidazole is sourced from PubChem (CID 69386928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).