2-(4-cyclohexyloctyl)-1H-imidazole

C17H30N2 — CID 70557419

IUPAC2-(4-cyclohexyloctyl)-1H-imidazole
SMILESCCCCC(CCCc1ncc[nH]1)C1CCCCC1
InChIInChI=1S/C17H30N2/c1-2-3-8-15(16-9-5-4-6-10-16)11-7-12-17-18-13-14-19-17/h13-16H,2-12H2,1H3,(H,18,19)
InChIKeyYVTKHZXWHNCSFN-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.12
Rot. Bonds8

About 2-(4-cyclohexyloctyl)-1H-imidazole

2-(4-cyclohexyloctyl)-1H-imidazole (PubChem CID 70557419) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-(4-cyclohexyloctyl)-1H-imidazole.

Molecular Properties

Compound Name2-(4-cyclohexyloctyl)-1H-imidazole
PubChem CID70557419
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-(4-cyclohexyloctyl)-1H-imidazole
SMILESCCCCC(CCCc1ncc[nH]1)C1CCCCC1
InChIInChI=1S/C17H30N2/c1-2-3-8-15(16-9-5-4-6-10-16)11-7-12-17-18-13-14-19-17/h13-16H,2-12H2,1H3,(H,18,19)
InChIKeyYVTKHZXWHNCSFN-UHFFFAOYSA-N
XLogP5.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-1H-imidazole;cyclohexane
CID 173413359
2-butyl-1H-imidazole;hydrochloride
CID 141134528
2-octyl-1H-imidazole
CID 18347297
2-dodecyl-1H-imidazole
CID 22019838
2-octadecyl-1H-imidazole
CID 54221067
2-decyl-1H-imidazole
CID 3089145
2-hexadecyl-1H-imidazole;hydrobromide
CID 175342933
2-(3-pentylnonyl)-1H-imidazole
CID 130279651
undecan-5-ylcyclohexane
CID 524419
hexadecan-8-ylcyclohexane
CID 91510029
N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine
CID 140833512
2-(2-bromo-2-cycloheptylethyl)-1H-imidazole
CID 62588339

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyloctyl)-1H-imidazole?
The IUPAC name of 2-(4-cyclohexyloctyl)-1H-imidazole (CID 70557419) is 2-(4-cyclohexyloctyl)-1H-imidazole.
What is the SMILES notation for 2-(4-cyclohexyloctyl)-1H-imidazole?
The canonical SMILES for 2-(4-cyclohexyloctyl)-1H-imidazole is CCCCC(CCCc1ncc[nH]1)C1CCCCC1.
What is the InChIKey of 2-(4-cyclohexyloctyl)-1H-imidazole?
The InChIKey is YVTKHZXWHNCSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-2-3-8-15(16-9-5-4-6-10-16)11-7-12-17-18-13-14-19-17/h13-16H,2-12H2,1H3,(H,18,19).
What are the key properties of 2-(4-cyclohexyloctyl)-1H-imidazole?
2-(4-cyclohexyloctyl)-1H-imidazole has a molecular weight of 262.44 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyloctyl)-1H-imidazole is sourced from PubChem (CID 70557419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).