1,2-diethyl-3-heptyl-2H-imidazole

C14H28N2 — CID 69392004

IUPAC1,2-diethyl-3-heptyl-2H-imidazole
SMILESCCCCCCCN1C=CN(CC)C1CC
InChIInChI=1S/C14H28N2/c1-4-7-8-9-10-11-16-13-12-15(6-3)14(16)5-2/h12-14H,4-11H2,1-3H3
InChIKeyWMXKXTVYMJQQAM-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.80
Rot. Bonds8

About 1,2-diethyl-3-heptyl-2H-imidazole

1,2-diethyl-3-heptyl-2H-imidazole (PubChem CID 69392004) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1,2-diethyl-3-heptyl-2H-imidazole.

Molecular Properties

Compound Name1,2-diethyl-3-heptyl-2H-imidazole
PubChem CID69392004
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1,2-diethyl-3-heptyl-2H-imidazole
SMILESCCCCCCCN1C=CN(CC)C1CC
InChIInChI=1S/C14H28N2/c1-4-7-8-9-10-11-16-13-12-15(6-3)14(16)5-2/h12-14H,4-11H2,1-3H3
InChIKeyWMXKXTVYMJQQAM-UHFFFAOYSA-N
XLogP3.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-hexyl-3-pentadecyl-2H-imidazole
CID 69392641
2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole
CID 69389494
2-ethyl-1-hexadecyl-3-pentadecyl-2H-imidazole
CID 69392466
2-ethyl-1-heptyl-3-octadecyl-2H-imidazole
CID 69388270
2-ethyl-1-heptadecyl-3-pentyl-2H-imidazole
CID 69392894
1-dodecyl-2-ethyl-3-pentyl-2H-imidazole
CID 69391926
2-ethyl-1-heptyl-3-pentadecyl-2H-imidazole
CID 69391593
1-butyl-2-ethyl-3-pentadecyl-2H-imidazole
CID 69389981
2-ethyl-1,3-dioctyl-2H-imidazole bromide
CID 21393920
1-butyl-2-ethyl-3-hexyl-2H-imidazole
CID 69393295
1-ethyl-3-heptyl-2-nonadecyl-2H-imidazole
CID 69391689
2-decyl-1-ethyl-3-heptadecyl-2H-imidazole
CID 69395677

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3-heptyl-2H-imidazole?
The IUPAC name of 1,2-diethyl-3-heptyl-2H-imidazole (CID 69392004) is 1,2-diethyl-3-heptyl-2H-imidazole.
What is the SMILES notation for 1,2-diethyl-3-heptyl-2H-imidazole?
The canonical SMILES for 1,2-diethyl-3-heptyl-2H-imidazole is CCCCCCCN1C=CN(CC)C1CC.
What is the InChIKey of 1,2-diethyl-3-heptyl-2H-imidazole?
The InChIKey is WMXKXTVYMJQQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-7-8-9-10-11-16-13-12-15(6-3)14(16)5-2/h12-14H,4-11H2,1-3H3.
What are the key properties of 1,2-diethyl-3-heptyl-2H-imidazole?
1,2-diethyl-3-heptyl-2H-imidazole has a molecular weight of 224.39 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3-heptyl-2H-imidazole is sourced from PubChem (CID 69392004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).