1-hexyl-3-methyl-2H-imidazole

C10H20N2 — CID 18513318

IUPAC1-hexyl-3-methyl-2H-imidazole
SMILESCCCCCCN1C=CN(C)C1
InChIInChI=1S/C10H20N2/c1-3-4-5-6-7-12-9-8-11(2)10-12/h8-9H,3-7,10H2,1-2H3
InChIKeyWGVGZVWOOMIJRK-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.24
Rot. Bonds5

About 1-hexyl-3-methyl-2H-imidazole

1-hexyl-3-methyl-2H-imidazole (PubChem CID 18513318) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-hexyl-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-hexyl-3-methyl-2H-imidazole
PubChem CID18513318
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-hexyl-3-methyl-2H-imidazole
SMILESCCCCCCN1C=CN(C)C1
InChIInChI=1S/C10H20N2/c1-3-4-5-6-7-12-9-8-11(2)10-12/h8-9H,3-7,10H2,1-2H3
InChIKeyWGVGZVWOOMIJRK-UHFFFAOYSA-N
XLogP2.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-hexyl-3-methyl-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-methyl-3-nonadecyl-2H-imidazole
CID 69396698
1-methyl-3-octadecyl-2H-imidazole;hydrochloride
CID 173017387
1-methyl-3-tridecyl-2H-imidazole;hydrochloride
CID 175556841
1-decyl-3-methyl-2H-imidazole;hydrofluoride
CID 174870192
1-methyl-3-octyl-2H-imidazole;hydrate
CID 172807129
fluoromethane;1-hexyl-3-methyl-2H-imidazole
CID 174715359
1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
CID 159038407
dichlorozinc;1-hexyl-3-methyl-2H-imidazole
CID 174760028
1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium
CID 162018722
1-butyl-3-methyl-2H-imidazole
CID 10265934
1-hexyl-3-methyl-2H-imidazole acetate
CID 162278554
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-methyl-2H-imidazole?
The IUPAC name of 1-hexyl-3-methyl-2H-imidazole (CID 18513318) is 1-hexyl-3-methyl-2H-imidazole.
What is the SMILES notation for 1-hexyl-3-methyl-2H-imidazole?
The canonical SMILES for 1-hexyl-3-methyl-2H-imidazole is CCCCCCN1C=CN(C)C1.
What is the InChIKey of 1-hexyl-3-methyl-2H-imidazole?
The InChIKey is WGVGZVWOOMIJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-4-5-6-7-12-9-8-11(2)10-12/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 1-hexyl-3-methyl-2H-imidazole?
1-hexyl-3-methyl-2H-imidazole has a molecular weight of 168.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-methyl-2H-imidazole is sourced from PubChem (CID 18513318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).