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

C27H38N2 — CID 69396615

IUPAC1,2-dibenzyl-3-decyl-2H-imidazole
SMILESCCCCCCCCCCN1C=CN(Cc2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C27H38N2/c1-2-3-4-5-6-7-8-15-20-28-21-22-29(24-26-18-13-10-14-19-26)27(28)23-25-16-11-9-12-17-25/h9-14,16-19,21-22,27H,2-8,15,20,23-24H2,1H3
InChIKeyRCJWNGDWEPUTAR-UHFFFAOYSA-N
MW390.62 g/mol
LogP6.98
Rot. Bonds13

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

1,2-dibenzyl-3-decyl-2H-imidazole (PubChem CID 69396615) has the molecular formula C27H38N2 and a molecular weight of 390.62 g/mol. Its IUPAC name is 1,2-dibenzyl-3-decyl-2H-imidazole.

Molecular Properties

Compound Name1,2-dibenzyl-3-decyl-2H-imidazole
PubChem CID69396615
Molecular FormulaC27H38N2
Molecular Weight390.62 g/mol
Exact Mass390.30
IUPAC Name1,2-dibenzyl-3-decyl-2H-imidazole
SMILESCCCCCCCCCCN1C=CN(Cc2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C27H38N2/c1-2-3-4-5-6-7-8-15-20-28-21-22-29(24-26-18-13-10-14-19-26)27(28)23-25-16-11-9-12-17-25/h9-14,16-19,21-22,27H,2-8,15,20,23-24H2,1H3
InChIKeyRCJWNGDWEPUTAR-UHFFFAOYSA-N
XLogP6.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.62
LogP ≤ 56.98
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-tetradecyl-2H-imidazole
CID 69395728
1,2-dibenzyl-3-pentyl-2H-imidazole
CID 69393781
2-benzyl-1-dodecyl-3-nonadecyl-2H-imidazole
CID 69388408
2-benzyl-1-decyl-3-hexadecyl-2H-imidazole
CID 69396919
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-heptadecyl-2-octadecyl-2H-imidazole
CID 69396806
1-benzyl-2-pentadecyl-3-tridecyl-2H-imidazole
CID 69392312
1-benzyl-3-nonyl-2-tetradecyl-2H-imidazole
CID 69390008

Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzyl-3-decyl-2H-imidazole?
The IUPAC name of 1,2-dibenzyl-3-decyl-2H-imidazole (CID 69396615) is 1,2-dibenzyl-3-decyl-2H-imidazole.
What is the SMILES notation for 1,2-dibenzyl-3-decyl-2H-imidazole?
The canonical SMILES for 1,2-dibenzyl-3-decyl-2H-imidazole is CCCCCCCCCCN1C=CN(Cc2ccccc2)C1Cc1ccccc1.
What is the InChIKey of 1,2-dibenzyl-3-decyl-2H-imidazole?
The InChIKey is RCJWNGDWEPUTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2/c1-2-3-4-5-6-7-8-15-20-28-21-22-29(24-26-18-13-10-14-19-26)27(28)23-25-16-11-9-12-17-25/h9-14,16-19,21-22,27H,2-8,15,20,23-24H2,1H3.
What are the key properties of 1,2-dibenzyl-3-decyl-2H-imidazole?
1,2-dibenzyl-3-decyl-2H-imidazole has a molecular weight of 390.62 g/mol, XLogP of 6.98, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzyl-3-decyl-2H-imidazole is sourced from PubChem (CID 69396615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).