2-methyl-1-nonadecyl-3-pentyl-2H-imidazole

C28H56N2 — CID 69387519

IUPAC2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(CCCCC)C1C
InChIInChI=1S/C28H56N2/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-30-27-26-29(28(30)3)24-22-7-5-2/h26-28H,4-25H2,1-3H3
InChIKeyLBKZHMXPTBUSDI-UHFFFAOYSA-N
MW420.77 g/mol
LogP9.26
Rot. Bonds22

About 2-methyl-1-nonadecyl-3-pentyl-2H-imidazole

2-methyl-1-nonadecyl-3-pentyl-2H-imidazole (PubChem CID 69387519) has the molecular formula C28H56N2 and a molecular weight of 420.77 g/mol. Its IUPAC name is 2-methyl-1-nonadecyl-3-pentyl-2H-imidazole.

Molecular Properties

Compound Name2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
PubChem CID69387519
Molecular FormulaC28H56N2
Molecular Weight420.77 g/mol
Exact Mass420.44
IUPAC Name2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(CCCCC)C1C
InChIInChI=1S/C28H56N2/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-30-27-26-29(28(30)3)24-22-7-5-2/h26-28H,4-25H2,1-3H3
InChIKeyLBKZHMXPTBUSDI-UHFFFAOYSA-N
XLogP9.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.77
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-1-nonadecyl-3-pentyl-2H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1,3-dioctyl-2H-imidazole
CID 21393912
1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
CID 69393888
1,3-diheptyl-2-methyl-2H-imidazole
CID 69394446
1,3-didecyl-2-methyl-2H-imidazole
CID 3018046
1-hexyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69392459
1-decyl-2-methyl-3-pentyl-2H-imidazole
CID 69391590
1-decyl-2-methyl-3-tridecyl-2H-imidazole
CID 69388587
1-butyl-2-methyl-3-nonyl-2H-imidazole
CID 69387396
1-butyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69390686
1-ethyl-3-heptadecyl-2-methyl-2H-imidazole
CID 69396423
1-decyl-3-ethyl-2-methyl-2H-imidazole
CID 69393103
1-dodecyl-2,3-dimethyl-2H-imidazole
CID 68900702

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-nonadecyl-3-pentyl-2H-imidazole?
The IUPAC name of 2-methyl-1-nonadecyl-3-pentyl-2H-imidazole (CID 69387519) is 2-methyl-1-nonadecyl-3-pentyl-2H-imidazole.
What is the SMILES notation for 2-methyl-1-nonadecyl-3-pentyl-2H-imidazole?
The canonical SMILES for 2-methyl-1-nonadecyl-3-pentyl-2H-imidazole is CCCCCCCCCCCCCCCCCCCN1C=CN(CCCCC)C1C.
What is the InChIKey of 2-methyl-1-nonadecyl-3-pentyl-2H-imidazole?
The InChIKey is LBKZHMXPTBUSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56N2/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-30-27-26-29(28(30)3)24-22-7-5-2/h26-28H,4-25H2,1-3H3.
What are the key properties of 2-methyl-1-nonadecyl-3-pentyl-2H-imidazole?
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole has a molecular weight of 420.77 g/mol, XLogP of 9.26, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-nonadecyl-3-pentyl-2H-imidazole is sourced from PubChem (CID 69387519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).