1-benzyl-3-butyl-2-undecyl-2H-imidazole

C25H42N2 — CID 69388248

IUPAC1-benzyl-3-butyl-2-undecyl-2H-imidazole
SMILESCCCCCCCCCCCC1N(CCCC)C=CN1Cc1ccccc1
InChIInChI=1S/C25H42N2/c1-3-5-7-8-9-10-11-12-16-19-25-26(20-6-4-2)21-22-27(25)23-24-17-14-13-15-18-24/h13-15,17-18,21-22,25H,3-12,16,19-20,23H2,1-2H3
InChIKeyIBMWVVHQCNRCFZ-UHFFFAOYSA-N
MW370.63 g/mol
LogP7.32
Rot. Bonds15

About 1-benzyl-3-butyl-2-undecyl-2H-imidazole

1-benzyl-3-butyl-2-undecyl-2H-imidazole (PubChem CID 69388248) has the molecular formula C25H42N2 and a molecular weight of 370.63 g/mol. Its IUPAC name is 1-benzyl-3-butyl-2-undecyl-2H-imidazole.

Molecular Properties

Compound Name1-benzyl-3-butyl-2-undecyl-2H-imidazole
PubChem CID69388248
Molecular FormulaC25H42N2
Molecular Weight370.63 g/mol
Exact Mass370.33
IUPAC Name1-benzyl-3-butyl-2-undecyl-2H-imidazole
SMILESCCCCCCCCCCCC1N(CCCC)C=CN1Cc1ccccc1
InChIInChI=1S/C25H42N2/c1-3-5-7-8-9-10-11-12-16-19-25-26(20-6-4-2)21-22-27(25)23-24-17-14-13-15-18-24/h13-15,17-18,21-22,25H,3-12,16,19-20,23H2,1-2H3
InChIKeyIBMWVVHQCNRCFZ-UHFFFAOYSA-N
XLogP7.32
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 ≤ 57.32
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-benzyl-3-butyl-2-hexadecyl-2H-imidazole
CID 69389431
1-benzyl-3-hexyl-2-undecyl-2H-imidazole
CID 69393351
1-benzyl-2-pentadecyl-3-tridecyl-2H-imidazole
CID 69392312
1-benzyl-3-heptadecyl-2-octadecyl-2H-imidazole
CID 69396806
1-benzyl-2-hexyl-3-undecyl-2H-imidazole
CID 69393287
1-benzyl-3-nonyl-2-tetradecyl-2H-imidazole
CID 69390008
1-benzyl-3-decyl-2-pentyl-2H-imidazole
CID 69395313
1-benzyl-3-hexadecyl-2-tridecyl-2H-imidazole
CID 69388432
1-benzyl-2-hexadecyl-3-pentyl-2H-imidazole
CID 69389183
1-benzyl-2-butyl-3-nonadecyl-2H-imidazole
CID 69397279
1-benzyl-3-methyl-2-pentyl-2H-imidazole
CID 69397407
1-benzyl-2-ethyl-3-nonyl-2H-imidazole
CID 69394728

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-butyl-2-undecyl-2H-imidazole?
The IUPAC name of 1-benzyl-3-butyl-2-undecyl-2H-imidazole (CID 69388248) is 1-benzyl-3-butyl-2-undecyl-2H-imidazole.
What is the SMILES notation for 1-benzyl-3-butyl-2-undecyl-2H-imidazole?
The canonical SMILES for 1-benzyl-3-butyl-2-undecyl-2H-imidazole is CCCCCCCCCCCC1N(CCCC)C=CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-butyl-2-undecyl-2H-imidazole?
The InChIKey is IBMWVVHQCNRCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2/c1-3-5-7-8-9-10-11-12-16-19-25-26(20-6-4-2)21-22-27(25)23-24-17-14-13-15-18-24/h13-15,17-18,21-22,25H,3-12,16,19-20,23H2,1-2H3.
What are the key properties of 1-benzyl-3-butyl-2-undecyl-2H-imidazole?
1-benzyl-3-butyl-2-undecyl-2H-imidazole has a molecular weight of 370.63 g/mol, XLogP of 7.32, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-butyl-2-undecyl-2H-imidazole is sourced from PubChem (CID 69388248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).