2-benzyl-1-nonyl-3-propyl-2H-imidazole

C22H36N2 — CID 69393422

IUPAC2-benzyl-1-nonyl-3-propyl-2H-imidazole
SMILESCCCCCCCCCN1C=CN(CCC)C1Cc1ccccc1
InChIInChI=1S/C22H36N2/c1-3-5-6-7-8-9-13-17-24-19-18-23(16-4-2)22(24)20-21-14-11-10-12-15-21/h10-12,14-15,18-19,22H,3-9,13,16-17,20H2,1-2H3
InChIKeyCDRIPKLQMKNVPE-UHFFFAOYSA-N
MW328.54 g/mol
LogP5.80
Rot. Bonds12

About 2-benzyl-1-nonyl-3-propyl-2H-imidazole

2-benzyl-1-nonyl-3-propyl-2H-imidazole (PubChem CID 69393422) has the molecular formula C22H36N2 and a molecular weight of 328.54 g/mol. Its IUPAC name is 2-benzyl-1-nonyl-3-propyl-2H-imidazole.

Molecular Properties

Compound Name2-benzyl-1-nonyl-3-propyl-2H-imidazole
PubChem CID69393422
Molecular FormulaC22H36N2
Molecular Weight328.54 g/mol
Exact Mass328.29
IUPAC Name2-benzyl-1-nonyl-3-propyl-2H-imidazole
SMILESCCCCCCCCCN1C=CN(CCC)C1Cc1ccccc1
InChIInChI=1S/C22H36N2/c1-3-5-6-7-8-9-13-17-24-19-18-23(16-4-2)22(24)20-21-14-11-10-12-15-21/h10-12,14-15,18-19,22H,3-9,13,16-17,20H2,1-2H3
InChIKeyCDRIPKLQMKNVPE-UHFFFAOYSA-N
XLogP5.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.80
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-benzyl-1-dodecyl-3-nonadecyl-2H-imidazole
CID 69388408
2-benzyl-1-decyl-3-hexadecyl-2H-imidazole
CID 69396919
1,2-dibenzyl-3-decyl-2H-imidazole
CID 69396615
1,2-dibenzyl-3-tetradecyl-2H-imidazole
CID 69395728
1,2-dibenzyl-3-pentyl-2H-imidazole
CID 69393781
2-benzyl-1-butyl-3-ethyl-2H-imidazole
CID 69392912
2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole
CID 69389731
2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole
CID 69397913
2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole
CID 69391251
2-benzyl-1-butyl-3-methyl-2H-imidazole
CID 69392411
1-benzyl-2-ethyl-3-hexadecyl-2H-imidazole
CID 69390745
1-benzyl-2-ethyl-3-nonyl-2H-imidazole
CID 69394728

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-nonyl-3-propyl-2H-imidazole?
The IUPAC name of 2-benzyl-1-nonyl-3-propyl-2H-imidazole (CID 69393422) is 2-benzyl-1-nonyl-3-propyl-2H-imidazole.
What is the SMILES notation for 2-benzyl-1-nonyl-3-propyl-2H-imidazole?
The canonical SMILES for 2-benzyl-1-nonyl-3-propyl-2H-imidazole is CCCCCCCCCN1C=CN(CCC)C1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-nonyl-3-propyl-2H-imidazole?
The InChIKey is CDRIPKLQMKNVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2/c1-3-5-6-7-8-9-13-17-24-19-18-23(16-4-2)22(24)20-21-14-11-10-12-15-21/h10-12,14-15,18-19,22H,3-9,13,16-17,20H2,1-2H3.
What are the key properties of 2-benzyl-1-nonyl-3-propyl-2H-imidazole?
2-benzyl-1-nonyl-3-propyl-2H-imidazole has a molecular weight of 328.54 g/mol, XLogP of 5.80, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-nonyl-3-propyl-2H-imidazole is sourced from PubChem (CID 69393422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).