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

C19H38N2 — CID 69391590

IUPAC1-decyl-2-methyl-3-pentyl-2H-imidazole
SMILESCCCCCCCCCCN1C=CN(CCCCC)C1C
InChIInChI=1S/C19H38N2/c1-4-6-8-9-10-11-12-14-16-21-18-17-20(19(21)3)15-13-7-5-2/h17-19H,4-16H2,1-3H3
InChIKeyHLNQSQDGVFXAJL-UHFFFAOYSA-N
MW294.53 g/mol
LogP5.75
Rot. Bonds13

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

1-decyl-2-methyl-3-pentyl-2H-imidazole (PubChem CID 69391590) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-decyl-2-methyl-3-pentyl-2H-imidazole.

Molecular Properties

Compound Name1-decyl-2-methyl-3-pentyl-2H-imidazole
PubChem CID69391590
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-decyl-2-methyl-3-pentyl-2H-imidazole
SMILESCCCCCCCCCCN1C=CN(CCCCC)C1C
InChIInChI=1S/C19H38N2/c1-4-6-8-9-10-11-12-14-16-21-18-17-20(19(21)3)15-13-7-5-2/h17-19H,4-16H2,1-3H3
InChIKeyHLNQSQDGVFXAJL-UHFFFAOYSA-N
XLogP5.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-decyl-2-methyl-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
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69387519
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-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-decyl-2-methyl-3-pentyl-2H-imidazole?
The IUPAC name of 1-decyl-2-methyl-3-pentyl-2H-imidazole (CID 69391590) is 1-decyl-2-methyl-3-pentyl-2H-imidazole.
What is the SMILES notation for 1-decyl-2-methyl-3-pentyl-2H-imidazole?
The canonical SMILES for 1-decyl-2-methyl-3-pentyl-2H-imidazole is CCCCCCCCCCN1C=CN(CCCCC)C1C.
What is the InChIKey of 1-decyl-2-methyl-3-pentyl-2H-imidazole?
The InChIKey is HLNQSQDGVFXAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-4-6-8-9-10-11-12-14-16-21-18-17-20(19(21)3)15-13-7-5-2/h17-19H,4-16H2,1-3H3.
What are the key properties of 1-decyl-2-methyl-3-pentyl-2H-imidazole?
1-decyl-2-methyl-3-pentyl-2H-imidazole has a molecular weight of 294.53 g/mol, XLogP of 5.75, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-methyl-3-pentyl-2H-imidazole is sourced from PubChem (CID 69391590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).