1-heptyl-2-nonyl-3-phenyl-2H-imidazole

C25H42N2 — CID 69397163

IUPAC1-heptyl-2-nonyl-3-phenyl-2H-imidazole
SMILESCCCCCCCCCC1N(CCCCCCC)C=CN1c1ccccc1
InChIInChI=1S/C25H42N2/c1-3-5-7-9-10-11-16-20-25-26(21-17-12-8-6-4-2)22-23-27(25)24-18-14-13-15-19-24/h13-15,18-19,22-23,25H,3-12,16-17,20-21H2,1-2H3
InChIKeyYRZBRMYWMCKLNB-UHFFFAOYSA-N
MW370.63 g/mol
LogP7.72
Rot. Bonds15

About 1-heptyl-2-nonyl-3-phenyl-2H-imidazole

1-heptyl-2-nonyl-3-phenyl-2H-imidazole (PubChem CID 69397163) has the molecular formula C25H42N2 and a molecular weight of 370.63 g/mol. Its IUPAC name is 1-heptyl-2-nonyl-3-phenyl-2H-imidazole.

Molecular Properties

Compound Name1-heptyl-2-nonyl-3-phenyl-2H-imidazole
PubChem CID69397163
Molecular FormulaC25H42N2
Molecular Weight370.63 g/mol
Exact Mass370.33
IUPAC Name1-heptyl-2-nonyl-3-phenyl-2H-imidazole
SMILESCCCCCCCCCC1N(CCCCCCC)C=CN1c1ccccc1
InChIInChI=1S/C25H42N2/c1-3-5-7-9-10-11-16-20-25-26(21-17-12-8-6-4-2)22-23-27(25)24-18-14-13-15-19-24/h13-15,18-19,22-23,25H,3-12,16-17,20-21H2,1-2H3
InChIKeyYRZBRMYWMCKLNB-UHFFFAOYSA-N
XLogP7.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.63
LogP ≤ 57.72
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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Frequently Asked Questions

What is the IUPAC name of 1-heptyl-2-nonyl-3-phenyl-2H-imidazole?
The IUPAC name of 1-heptyl-2-nonyl-3-phenyl-2H-imidazole (CID 69397163) is 1-heptyl-2-nonyl-3-phenyl-2H-imidazole.
What is the SMILES notation for 1-heptyl-2-nonyl-3-phenyl-2H-imidazole?
The canonical SMILES for 1-heptyl-2-nonyl-3-phenyl-2H-imidazole is CCCCCCCCCC1N(CCCCCCC)C=CN1c1ccccc1.
What is the InChIKey of 1-heptyl-2-nonyl-3-phenyl-2H-imidazole?
The InChIKey is YRZBRMYWMCKLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2/c1-3-5-7-9-10-11-16-20-25-26(21-17-12-8-6-4-2)22-23-27(25)24-18-14-13-15-19-24/h13-15,18-19,22-23,25H,3-12,16-17,20-21H2,1-2H3.
What are the key properties of 1-heptyl-2-nonyl-3-phenyl-2H-imidazole?
1-heptyl-2-nonyl-3-phenyl-2H-imidazole has a molecular weight of 370.63 g/mol, XLogP of 7.72, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-2-nonyl-3-phenyl-2H-imidazole is sourced from PubChem (CID 69397163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).