2-hexan-2-yl-1H-imidazole

C9H16N2 — CID 54215570

IUPAC2-hexan-2-yl-1H-imidazole
SMILESCCCCC(C)c1ncc[nH]1
InChIInChI=1S/C9H16N2/c1-3-4-5-8(2)9-10-6-7-11-9/h6-8H,3-5H2,1-2H3,(H,10,11)
InChIKeyPYYKNZYLXBFXQQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.70
Rot. Bonds4

About 2-hexan-2-yl-1H-imidazole

2-hexan-2-yl-1H-imidazole (PubChem CID 54215570) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-hexan-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-hexan-2-yl-1H-imidazole
PubChem CID54215570
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-hexan-2-yl-1H-imidazole
SMILESCCCCC(C)c1ncc[nH]1
InChIInChI=1S/C9H16N2/c1-3-4-5-8(2)9-10-6-7-11-9/h6-8H,3-5H2,1-2H3,(H,10,11)
InChIKeyPYYKNZYLXBFXQQ-UHFFFAOYSA-N
XLogP2.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2R)-butan-2-yl]-1H-imidazole
CID 89008830
2-[(3R)-heptan-3-yl]-1H-imidazole
CID 129190322
2-butan-2-yl-1H-imidazole;ethane
CID 156722843
2-(1-methylsulfanylpropan-2-yl)-1H-imidazole
CID 66924438
2-(1-bromobutyl)-1H-imidazole
CID 19936731
5-hexan-2-yl-1H-1,2,4-triazole
CID 122599049
(2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide
CID 107146607
N-hexan-2-yl-1H-imidazol-2-amine
CID 106569743
2-[7-(4-decylphenyl)octan-3-yl]-1H-imidazole
CID 57322626
1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride
CID 55254704
hydrazine;2-propan-2-yl-1H-imidazole
CID 158955026
N-ethyl-1-(1H-imidazol-2-yl)-5-methylhexan-1-amine
CID 83160750

Frequently Asked Questions

What is the IUPAC name of 2-hexan-2-yl-1H-imidazole?
The IUPAC name of 2-hexan-2-yl-1H-imidazole (CID 54215570) is 2-hexan-2-yl-1H-imidazole.
What is the SMILES notation for 2-hexan-2-yl-1H-imidazole?
The canonical SMILES for 2-hexan-2-yl-1H-imidazole is CCCCC(C)c1ncc[nH]1.
What is the InChIKey of 2-hexan-2-yl-1H-imidazole?
The InChIKey is PYYKNZYLXBFXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-4-5-8(2)9-10-6-7-11-9/h6-8H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-hexan-2-yl-1H-imidazole?
2-hexan-2-yl-1H-imidazole has a molecular weight of 152.24 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-2-yl-1H-imidazole is sourced from PubChem (CID 54215570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).