1-butyl-2-heptyl-3-hexyl-2H-imidazole

C20H40N2 — CID 69391242

IUPAC1-butyl-2-heptyl-3-hexyl-2H-imidazole
SMILESCCCCCCCC1N(CCCC)C=CN1CCCCCC
InChIInChI=1S/C20H40N2/c1-4-7-10-12-13-15-20-21(16-9-6-3)18-19-22(20)17-14-11-8-5-2/h18-20H,4-17H2,1-3H3
InChIKeyUEBJFDYFTIXAKM-UHFFFAOYSA-N
MW308.55 g/mol
LogP6.14
Rot. Bonds14

About 1-butyl-2-heptyl-3-hexyl-2H-imidazole

1-butyl-2-heptyl-3-hexyl-2H-imidazole (PubChem CID 69391242) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 1-butyl-2-heptyl-3-hexyl-2H-imidazole.

Molecular Properties

Compound Name1-butyl-2-heptyl-3-hexyl-2H-imidazole
PubChem CID69391242
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name1-butyl-2-heptyl-3-hexyl-2H-imidazole
SMILESCCCCCCCC1N(CCCC)C=CN1CCCCCC
InChIInChI=1S/C20H40N2/c1-4-7-10-12-13-15-20-21(16-9-6-3)18-19-22(20)17-14-11-8-5-2/h18-20H,4-17H2,1-3H3
InChIKeyUEBJFDYFTIXAKM-UHFFFAOYSA-N
XLogP6.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-butyl-2-heptyl-3-hexyl-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

1-butyl-2-hexadecyl-3-pentyl-2H-imidazole
CID 69389669
1-butyl-3-pentyl-2-undecyl-2H-imidazole
CID 69387888
1-butyl-3-hexyl-2-tridecyl-2H-imidazole
CID 69390321
1-butyl-2,3-di(heptadecyl)-2H-imidazole
CID 69387120
1-butyl-3-dodecyl-2-tetradecyl-2H-imidazole
CID 69390793
1-butyl-2-octyl-3-tetradecyl-2H-imidazole
CID 69395152
1-butyl-2-pentadecyl-3-pentyl-2H-imidazole
CID 69385873
1-heptadecyl-2-hexyl-3-nonyl-2H-imidazole
CID 69387199
1-hexyl-3-octadecyl-2-octyl-2H-imidazole
CID 69393132
1-heptyl-2-hexadecyl-3-octyl-2H-imidazole
CID 69392232
2-heptyl-1-tetradecyl-3-undecyl-2H-imidazole
CID 69388972
1,2-dihexyl-3-nonadecyl-2H-imidazole
CID 69392043

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-heptyl-3-hexyl-2H-imidazole?
The IUPAC name of 1-butyl-2-heptyl-3-hexyl-2H-imidazole (CID 69391242) is 1-butyl-2-heptyl-3-hexyl-2H-imidazole.
What is the SMILES notation for 1-butyl-2-heptyl-3-hexyl-2H-imidazole?
The canonical SMILES for 1-butyl-2-heptyl-3-hexyl-2H-imidazole is CCCCCCCC1N(CCCC)C=CN1CCCCCC.
What is the InChIKey of 1-butyl-2-heptyl-3-hexyl-2H-imidazole?
The InChIKey is UEBJFDYFTIXAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-4-7-10-12-13-15-20-21(16-9-6-3)18-19-22(20)17-14-11-8-5-2/h18-20H,4-17H2,1-3H3.
What are the key properties of 1-butyl-2-heptyl-3-hexyl-2H-imidazole?
1-butyl-2-heptyl-3-hexyl-2H-imidazole has a molecular weight of 308.55 g/mol, XLogP of 6.14, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-heptyl-3-hexyl-2H-imidazole is sourced from PubChem (CID 69391242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).