2-butyl-1H-imidazole;cyclohexane

C13H24N2 — CID 173413359

IUPAC2-butyl-1H-imidazole;cyclohexane
SMILESC1CCCCC1.CCCCc1ncc[nH]1
InChIInChI=1S/C7H12N2.C6H12/c1-2-3-4-7-8-5-6-9-7;1-2-4-6-5-3-1/h5-6H,2-4H2,1H3,(H,8,9);1-6H2
InChIKeyALJNBFIMUAANGX-UHFFFAOYSA-N
MW208.35 g/mol
LogP4.09
Rot. Bonds3

About 2-butyl-1H-imidazole;cyclohexane

2-butyl-1H-imidazole;cyclohexane (PubChem CID 173413359) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-butyl-1H-imidazole;cyclohexane.

Molecular Properties

Compound Name2-butyl-1H-imidazole;cyclohexane
PubChem CID173413359
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-butyl-1H-imidazole;cyclohexane
SMILESC1CCCCC1.CCCCc1ncc[nH]1
InChIInChI=1S/C7H12N2.C6H12/c1-2-3-4-7-8-5-6-9-7;1-2-4-6-5-3-1/h5-6H,2-4H2,1H3,(H,8,9);1-6H2
InChIKeyALJNBFIMUAANGX-UHFFFAOYSA-N
XLogP4.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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
N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine
CID 140833512
2-(4-cyclohexyloctyl)-1H-imidazole
CID 70557419
N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine
CID 140833493
2-butyl-1H-imidazole;hexanoic acid
CID 175164203
2-propyl-1H-imidazole tetrafluoroborate
CID 174826414
2-hexadecyl-1H-imidazole;urea
CID 174763574

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1H-imidazole;cyclohexane?
The IUPAC name of 2-butyl-1H-imidazole;cyclohexane (CID 173413359) is 2-butyl-1H-imidazole;cyclohexane.
What is the SMILES notation for 2-butyl-1H-imidazole;cyclohexane?
The canonical SMILES for 2-butyl-1H-imidazole;cyclohexane is C1CCCCC1.CCCCc1ncc[nH]1.
What is the InChIKey of 2-butyl-1H-imidazole;cyclohexane?
The InChIKey is ALJNBFIMUAANGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C6H12/c1-2-3-4-7-8-5-6-9-7;1-2-4-6-5-3-1/h5-6H,2-4H2,1H3,(H,8,9);1-6H2.
What are the key properties of 2-butyl-1H-imidazole;cyclohexane?
2-butyl-1H-imidazole;cyclohexane has a molecular weight of 208.35 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1H-imidazole;cyclohexane is sourced from PubChem (CID 173413359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).