1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole

C34H68N2 — CID 69393888

IUPAC1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCC)C1C
InChIInChI=1S/C34H68N2/c1-4-6-8-10-12-14-16-17-18-19-21-23-25-27-29-31-36-33-32-35(34(36)3)30-28-26-24-22-20-15-13-11-9-7-5-2/h32-34H,4-31H2,1-3H3
InChIKeyCSYJPFWUOFMGLG-UHFFFAOYSA-N
MW504.93 g/mol
LogP11.60
Rot. Bonds28

About 1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole

1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole (PubChem CID 69393888) has the molecular formula C34H68N2 and a molecular weight of 504.93 g/mol. Its IUPAC name is 1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole.

Molecular Properties

Compound Name1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
PubChem CID69393888
Molecular FormulaC34H68N2
Molecular Weight504.93 g/mol
Exact Mass504.54
IUPAC Name1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCC)C1C
InChIInChI=1S/C34H68N2/c1-4-6-8-10-12-14-16-17-18-19-21-23-25-27-29-31-36-33-32-35(34(36)3)30-28-26-24-22-20-15-13-11-9-7-5-2/h32-34H,4-31H2,1-3H3
InChIKeyCSYJPFWUOFMGLG-UHFFFAOYSA-N
XLogP11.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.93
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-heptadecyl-2-methyl-3-tridecyl-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
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69387519
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 1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole?
The IUPAC name of 1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole (CID 69393888) is 1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole.
What is the SMILES notation for 1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole?
The canonical SMILES for 1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole is CCCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCC)C1C.
What is the InChIKey of 1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole?
The InChIKey is CSYJPFWUOFMGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68N2/c1-4-6-8-10-12-14-16-17-18-19-21-23-25-27-29-31-36-33-32-35(34(36)3)30-28-26-24-22-20-15-13-11-9-7-5-2/h32-34H,4-31H2,1-3H3.
What are the key properties of 1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole?
1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole has a molecular weight of 504.93 g/mol, XLogP of 11.60, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole is sourced from PubChem (CID 69393888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).