1,2-dibenzyl-3-tetradecyl-2H-imidazole

C31H46N2 — CID 69395728

IUPAC1,2-dibenzyl-3-tetradecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCN1C=CN(Cc2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C31H46N2/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-32-25-26-33(28-30-22-17-14-18-23-30)31(32)27-29-20-15-13-16-21-29/h13-18,20-23,25-26,31H,2-12,19,24,27-28H2,1H3
InChIKeyXNDSSZVDQQDKPI-UHFFFAOYSA-N
MW446.72 g/mol
LogP8.55
Rot. Bonds17

About 1,2-dibenzyl-3-tetradecyl-2H-imidazole

1,2-dibenzyl-3-tetradecyl-2H-imidazole (PubChem CID 69395728) has the molecular formula C31H46N2 and a molecular weight of 446.72 g/mol. Its IUPAC name is 1,2-dibenzyl-3-tetradecyl-2H-imidazole.

Molecular Properties

Compound Name1,2-dibenzyl-3-tetradecyl-2H-imidazole
PubChem CID69395728
Molecular FormulaC31H46N2
Molecular Weight446.72 g/mol
Exact Mass446.37
IUPAC Name1,2-dibenzyl-3-tetradecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCN1C=CN(Cc2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C31H46N2/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-32-25-26-33(28-30-22-17-14-18-23-30)31(32)27-29-20-15-13-16-21-29/h13-18,20-23,25-26,31H,2-12,19,24,27-28H2,1H3
InChIKeyXNDSSZVDQQDKPI-UHFFFAOYSA-N
XLogP8.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.72
LogP ≤ 58.55
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

1,2-dibenzyl-3-decyl-2H-imidazole
CID 69396615
1,2-dibenzyl-3-pentyl-2H-imidazole
CID 69393781
2-benzyl-1-decyl-3-hexadecyl-2H-imidazole
CID 69396919
2-benzyl-1-dodecyl-3-nonadecyl-2H-imidazole
CID 69388408
2-benzyl-1-nonyl-3-propyl-2H-imidazole
CID 69393422
1-benzyl-2-ethyl-3-hexadecyl-2H-imidazole
CID 69390745
1-benzyl-2-ethyl-3-nonyl-2H-imidazole
CID 69394728
1-benzyl-3-hexyl-2-undecyl-2H-imidazole
CID 69393351
1-benzyl-2-butyl-3-nonadecyl-2H-imidazole
CID 69397279
1-benzyl-3-nonyl-2-tetradecyl-2H-imidazole
CID 69390008
1-benzyl-2-pentadecyl-3-tridecyl-2H-imidazole
CID 69392312
1-benzyl-3-heptadecyl-2-octadecyl-2H-imidazole
CID 69396806

Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzyl-3-tetradecyl-2H-imidazole?
The IUPAC name of 1,2-dibenzyl-3-tetradecyl-2H-imidazole (CID 69395728) is 1,2-dibenzyl-3-tetradecyl-2H-imidazole.
What is the SMILES notation for 1,2-dibenzyl-3-tetradecyl-2H-imidazole?
The canonical SMILES for 1,2-dibenzyl-3-tetradecyl-2H-imidazole is CCCCCCCCCCCCCCN1C=CN(Cc2ccccc2)C1Cc1ccccc1.
What is the InChIKey of 1,2-dibenzyl-3-tetradecyl-2H-imidazole?
The InChIKey is XNDSSZVDQQDKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N2/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-32-25-26-33(28-30-22-17-14-18-23-30)31(32)27-29-20-15-13-16-21-29/h13-18,20-23,25-26,31H,2-12,19,24,27-28H2,1H3.
What are the key properties of 1,2-dibenzyl-3-tetradecyl-2H-imidazole?
1,2-dibenzyl-3-tetradecyl-2H-imidazole has a molecular weight of 446.72 g/mol, XLogP of 8.55, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzyl-3-tetradecyl-2H-imidazole is sourced from PubChem (CID 69395728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).