2-(2-methyl-1,2-diphenylhexan-3-yl)-1-nonylimidazole

C31H44N2 — CID 69398151

IUPAC2-(2-methyl-1,2-diphenylhexan-3-yl)-1-nonylimidazole
SMILESCCCCCCCCCn1ccnc1C(CCC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C31H44N2/c1-4-6-7-8-9-10-17-24-33-25-23-32-30(33)29(18-5-2)31(3,28-21-15-12-16-22-28)26-27-19-13-11-14-20-27/h11-16,19-23,25,29H,4-10,17-18,24,26H2,1-3H3
InChIKeyDINDHACDKYXJDM-UHFFFAOYSA-N
MW444.71 g/mol
LogP8.72
Rot. Bonds15

About 2-(2-methyl-1,2-diphenylhexan-3-yl)-1-nonylimidazole

2-(2-methyl-1,2-diphenylhexan-3-yl)-1-nonylimidazole (PubChem CID 69398151) has the molecular formula C31H44N2 and a molecular weight of 444.71 g/mol. Its IUPAC name is 2-(2-methyl-1,2-diphenylhexan-3-yl)-1-nonylimidazole.

Molecular Properties

Compound Name2-(2-methyl-1,2-diphenylhexan-3-yl)-1-nonylimidazole
PubChem CID69398151
Molecular FormulaC31H44N2
Molecular Weight444.71 g/mol
Exact Mass444.35
IUPAC Name2-(2-methyl-1,2-diphenylhexan-3-yl)-1-nonylimidazole
SMILESCCCCCCCCCn1ccnc1C(CCC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C31H44N2/c1-4-6-7-8-9-10-17-24-33-25-23-32-30(33)29(18-5-2)31(3,28-21-15-12-16-22-28)26-27-19-13-11-14-20-27/h11-16,19-23,25,29H,4-10,17-18,24,26H2,1-3H3
InChIKeyDINDHACDKYXJDM-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-diphenylhexan-3-yl)-1-tetradecylimidazole
CID 69387014
2-(2-methyl-1,2-diphenylhexan-3-yl)-1-nonadecylimidazole
CID 69397182
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-diphenyltetradecan-3-yl)-1-tridecylimidazole
CID 69395057
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,2-diphenylhexan-3-yl)-1-nonylimidazole?
The IUPAC name of 2-(2-methyl-1,2-diphenylhexan-3-yl)-1-nonylimidazole (CID 69398151) is 2-(2-methyl-1,2-diphenylhexan-3-yl)-1-nonylimidazole.
What is the SMILES notation for 2-(2-methyl-1,2-diphenylhexan-3-yl)-1-nonylimidazole?
The canonical SMILES for 2-(2-methyl-1,2-diphenylhexan-3-yl)-1-nonylimidazole is CCCCCCCCCn1ccnc1C(CCC)C(C)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-methyl-1,2-diphenylhexan-3-yl)-1-nonylimidazole?
The InChIKey is DINDHACDKYXJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N2/c1-4-6-7-8-9-10-17-24-33-25-23-32-30(33)29(18-5-2)31(3,28-21-15-12-16-22-28)26-27-19-13-11-14-20-27/h11-16,19-23,25,29H,4-10,17-18,24,26H2,1-3H3.
What are the key properties of 2-(2-methyl-1,2-diphenylhexan-3-yl)-1-nonylimidazole?
2-(2-methyl-1,2-diphenylhexan-3-yl)-1-nonylimidazole 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 2-(2-methyl-1,2-diphenylhexan-3-yl)-1-nonylimidazole is sourced from PubChem (CID 69398151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).