1-(4-ethyloctan-4-yl)imidazole

C13H24N2 — CID 57179751

IUPAC1-(4-ethyloctan-4-yl)imidazole
SMILESCCCCC(CC)(CCC)n1ccnc1
InChIInChI=1S/C13H24N2/c1-4-7-9-13(6-3,8-5-2)15-11-10-14-12-15/h10-12H,4-9H2,1-3H3
InChIKeyROSPHOXNJYRHDQ-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.98
Rot. Bonds7

About 1-(4-ethyloctan-4-yl)imidazole

1-(4-ethyloctan-4-yl)imidazole (PubChem CID 57179751) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-(4-ethyloctan-4-yl)imidazole.

Molecular Properties

Compound Name1-(4-ethyloctan-4-yl)imidazole
PubChem CID57179751
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-(4-ethyloctan-4-yl)imidazole
SMILESCCCCC(CC)(CCC)n1ccnc1
InChIInChI=1S/C13H24N2/c1-4-7-9-13(6-3,8-5-2)15-11-10-14-12-15/h10-12H,4-9H2,1-3H3
InChIKeyROSPHOXNJYRHDQ-UHFFFAOYSA-N
XLogP3.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-imidazol-1-ylhexan-2-yl)imidazole
CID 174761890
1-(2-methylundecan-2-yl)imidazole
CID 151900805
2-imidazol-1-yltridecan-2-ol
CID 87316839
1-imidazol-1-ylpropane-1,1-diamine
CID 67171821
2-imidazol-1-yl-2-octyldecanamide
CID 175292501
1-(4-butyl-3-methyldocosan-3-yl)imidazole
CID 69391247
(3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate
CID 175520912
1-bromoimidazole;hexane
CID 175190317
2-imidazol-1-yl-2-phenylpentanoic acid
CID 114994268
1-(3-ethyloctadecan-3-yl)-1,2,4-triazole
CID 161095642
1-(tribromomethyl)imidazole
CID 174422009
2-imidazol-1-ylpropan-2-ol
CID 57110355

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyloctan-4-yl)imidazole?
The IUPAC name of 1-(4-ethyloctan-4-yl)imidazole (CID 57179751) is 1-(4-ethyloctan-4-yl)imidazole.
What is the SMILES notation for 1-(4-ethyloctan-4-yl)imidazole?
The canonical SMILES for 1-(4-ethyloctan-4-yl)imidazole is CCCCC(CC)(CCC)n1ccnc1.
What is the InChIKey of 1-(4-ethyloctan-4-yl)imidazole?
The InChIKey is ROSPHOXNJYRHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-7-9-13(6-3,8-5-2)15-11-10-14-12-15/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-(4-ethyloctan-4-yl)imidazole?
1-(4-ethyloctan-4-yl)imidazole has a molecular weight of 208.35 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyloctan-4-yl)imidazole is sourced from PubChem (CID 57179751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).